smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(O)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000289456645 464079155 /nfs/dbraw/zinc/07/91/55/464079155.db2.gz NVPINURUOWSFGI-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP CCOC[C@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000162828138 694338492 /nfs/dbraw/zinc/33/84/92/694338492.db2.gz NKWRUROVIDPOCC-KRWDZBQOSA-N 2 0 335.492 2.222 20 10 EECDRP COc1ccc(O)c(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1 ZINC000877691551 1200033355 /nfs/dbraw/zinc/03/33/55/1200033355.db2.gz RAEUOHXFDYHPIH-UHFFFAOYSA-N 2 0 328.416 2.160 20 10 EECDRP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267671 1205294509 /nfs/dbraw/zinc/29/45/09/1205294509.db2.gz VIMADKNMBZPCOX-CALCHBBNSA-N 2 0 334.460 2.157 20 10 EECDRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@H]2CC1 ZINC001275320789 1205308423 /nfs/dbraw/zinc/30/84/23/1205308423.db2.gz YXIGTEQJBXIQEO-CALCHBBNSA-N 2 0 347.478 2.436 20 10 EECDRP COc1ccc(N2CCC([NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)CC2)cc1 ZINC000925565729 1206129090 /nfs/dbraw/zinc/12/90/90/1206129090.db2.gz XDRJNEZIWVHDSE-UVPINQTDSA-N 2 0 327.472 2.250 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([S@](C)=O)C3)cc2)CC1 ZINC000850355766 1277196343 /nfs/dbraw/zinc/19/63/43/1277196343.db2.gz LIQGXAGODLKBQZ-VUMVONDWSA-N 2 0 349.544 2.218 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000854230814 1292681287 /nfs/dbraw/zinc/68/12/87/1292681287.db2.gz ZGRMZRMLNYWZFN-OKZBNKHCSA-N 2 0 329.488 2.125 20 10 EECDRP COCCN(Cc1ccc(N(C)C)cc1OC)C1CC[NH+](C)CC1 ZINC001231852829 1303930834 /nfs/dbraw/zinc/93/08/34/1303930834.db2.gz OSAYWSBUGVEZBI-UHFFFAOYSA-N 2 0 335.492 2.304 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@H]1O ZINC001236930644 1305734498 /nfs/dbraw/zinc/73/44/98/1305734498.db2.gz DXMJUJAUCNRSMD-BEFAXECRSA-N 2 0 335.467 2.170 20 10 EECDRP Cc1cc(F)cc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1O ZINC001238066656 1306207939 /nfs/dbraw/zinc/20/79/39/1306207939.db2.gz IHYORLLFOTWHBX-UHFFFAOYSA-N 2 0 335.467 2.299 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](O)(CF)CC3)cc2)CC1 ZINC001139407943 1314740091 /nfs/dbraw/zinc/74/00/91/1314740091.db2.gz HNJLUBKVDAZFEB-IBGZPJMESA-N 2 0 335.467 2.125 20 10 EECDRP CC[N@H+](C)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139411054 1314740958 /nfs/dbraw/zinc/74/09/58/1314740958.db2.gz RYSRLSCFBMNHLF-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP COc1cc(Br)cc(CN2CCC[C@H](C[NH3+])C2)c1O ZINC000843047163 1315829023 /nfs/dbraw/zinc/82/90/23/1315829023.db2.gz HRUBKFIKVWULBD-SNVBAGLBSA-N 2 0 329.238 2.334 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1C ZINC000843058127 1315832049 /nfs/dbraw/zinc/83/20/49/1315832049.db2.gz PVGHHFRMBFJHQB-WMZOPIPTSA-N 2 0 345.487 2.089 20 10 EECDRP COc1ccc(N2CC[NH+](CCCNc3cc(N)cc[nH+]3)CC2)cc1 ZINC001156257418 1317939941 /nfs/dbraw/zinc/93/99/41/1317939941.db2.gz SQKDJNMBAZQFRK-UHFFFAOYSA-N 2 0 341.459 2.297 20 10 EECDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157431874 1318636001 /nfs/dbraw/zinc/63/60/01/1318636001.db2.gz AGFHHVDBPGFWSR-YJBOKZPZSA-N 2 0 347.503 2.466 20 10 EECDRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001257038504 1318923120 /nfs/dbraw/zinc/92/31/20/1318923120.db2.gz PIMFJSHBHXDFMM-QZTJIDSGSA-N 2 0 345.487 2.260 20 10 EECDRP CCc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000848890709 1338794752 /nfs/dbraw/zinc/79/47/52/1338794752.db2.gz UDUKJSDYECDTEN-QFBILLFUSA-N 2 0 331.504 2.412 20 10 EECDRP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001755236116 1407244488 /nfs/dbraw/zinc/24/44/88/1407244488.db2.gz DNYUCVQXIQPBCC-CVEARBPZSA-N 2 0 347.503 2.471 20 10 EECDRP COC1([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000817420163 784770033 /nfs/dbraw/zinc/77/00/33/784770033.db2.gz OYJPBKSOHJPFBK-KRWDZBQOSA-N 2 0 347.503 2.112 20 10 EECDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817896376 785052604 /nfs/dbraw/zinc/05/26/04/785052604.db2.gz HSNOYFBTDJLYCI-HNNXBMFYSA-N 2 0 333.476 2.164 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@H](C)[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC000817902637 785054513 /nfs/dbraw/zinc/05/45/13/785054513.db2.gz VUMVPHPWUOEZBY-CRAIPNDOSA-N 2 0 334.483 2.198 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001176934078 798635286 /nfs/dbraw/zinc/63/52/86/798635286.db2.gz LOOXXEHERAEPCO-UHFFFAOYSA-N 2 0 347.503 2.476 20 10 EECDRP CCOC(CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)OCC ZINC000786832457 806897070 /nfs/dbraw/zinc/89/70/70/806897070.db2.gz UUWAZLKVBONZCK-UHFFFAOYSA-N 2 0 335.492 2.317 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)Cc3ccccc3)cc2)CC1 ZINC000782543595 1126109629 /nfs/dbraw/zinc/10/96/29/1126109629.db2.gz FREWNEIFNIZBNC-FQEVSTJZSA-N 2 0 339.483 2.132 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000273484323 464718297 /nfs/dbraw/zinc/71/82/97/464718297.db2.gz MWRFFBAVZIEIBF-IRWQIABSSA-N 2 0 334.460 2.429 20 10 EECDRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1O ZINC000183453666 464865855 /nfs/dbraw/zinc/86/58/55/464865855.db2.gz FLRNTJMAPSAARR-HNNXBMFYSA-N 2 0 326.444 2.390 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)Cc3ccccc3)cc2)CC1 ZINC000775315007 577434740 /nfs/dbraw/zinc/43/47/40/577434740.db2.gz FREWNEIFNIZBNC-HXUWFJFHSA-N 2 0 339.483 2.132 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000775659060 577441956 /nfs/dbraw/zinc/44/19/56/577441956.db2.gz UNMCTDBNQPTIJT-NRFANRHFSA-N 2 0 342.531 2.499 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1C ZINC000969947285 675332461 /nfs/dbraw/zinc/33/24/61/675332461.db2.gz CTYAPOUGKIZNFP-FUHWJXTLSA-N 2 0 345.487 2.178 20 10 EECDRP CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000891248523 676242771 /nfs/dbraw/zinc/24/27/71/676242771.db2.gz XZMRMUZWNVAHEM-IPMKNSEASA-N 2 0 346.519 2.202 20 10 EECDRP C[N@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)C ZINC000899212591 693663253 /nfs/dbraw/zinc/66/32/53/693663253.db2.gz VUZWMVMXMQQUKY-UHFFFAOYSA-N 2 0 346.519 2.033 20 10 EECDRP COc1cc(CN2CCC[C@]23CCC[NH2+]C3)cc(C[NH+](C)C)c1O ZINC001222243515 1299435183 /nfs/dbraw/zinc/43/51/83/1299435183.db2.gz LEXYDSHZQZXVST-IBGZPJMESA-N 2 0 333.476 2.180 20 10 EECDRP COc1ccc2ccc(O)c(C[NH+]3CCN(CC[NH+](C)C)CC3)c2c1 ZINC001234518803 1304950110 /nfs/dbraw/zinc/95/01/10/1304950110.db2.gz NIQQSHIFIDSGAK-UHFFFAOYSA-N 2 0 343.471 2.233 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+]C1CCC2(CC[NH2+]CC2)CC1 ZINC001246175120 1310254075 /nfs/dbraw/zinc/25/40/75/1310254075.db2.gz SPRGESWCKIRADU-UHFFFAOYSA-N 3 0 342.531 2.498 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246176445 1310254202 /nfs/dbraw/zinc/25/42/02/1310254202.db2.gz XQZSDPIWENEKQK-ICSRJNTNSA-N 3 0 328.504 2.108 20 10 EECDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(N2CCCCC2)cc1 ZINC001138221083 1314577688 /nfs/dbraw/zinc/57/76/88/1314577688.db2.gz YJKUCVRIDJUIQH-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP COc1cc(CN2CC[NH+](CC(C)C)CC2)cc(C[NH+](C)C)c1O ZINC001139255124 1314722243 /nfs/dbraw/zinc/72/22/43/1314722243.db2.gz LYQUOWQOIWLTJD-UHFFFAOYSA-N 2 0 335.492 2.236 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC001140304216 1314862253 /nfs/dbraw/zinc/86/22/53/1314862253.db2.gz IXXFKJRDRISNDI-HXUWFJFHSA-N 2 0 330.520 2.355 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[N@H+](CC)C[C@H]3C)cc2)CC1 ZINC001140309570 1314864946 /nfs/dbraw/zinc/86/49/46/1314864946.db2.gz LWJRNOYAPNBTKW-GOSISDBHSA-N 2 0 330.520 2.355 20 10 EECDRP COc1cc(Br)cc(CN2CCC[C@@H](C[NH3+])C2)c1O ZINC000843047162 1315828840 /nfs/dbraw/zinc/82/88/40/1315828840.db2.gz HRUBKFIKVWULBD-JTQLQIEISA-N 2 0 329.238 2.334 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843121735 1315847952 /nfs/dbraw/zinc/84/79/52/1315847952.db2.gz JITBRHWCEGYXMD-IBGZPJMESA-N 2 0 346.519 2.352 20 10 EECDRP c1cc(N2CCCCC2)ccc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000843124055 1315848608 /nfs/dbraw/zinc/84/86/08/1315848608.db2.gz UTZUBMAYBSQAOG-FQEVSTJZSA-N 2 0 328.504 2.156 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCC2)cc1C ZINC001152237639 1316649013 /nfs/dbraw/zinc/64/90/13/1316649013.db2.gz SMMOOQWLKAXULM-UHFFFAOYSA-N 2 0 333.476 2.085 20 10 EECDRP CN1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC001326077697 1334024049 /nfs/dbraw/zinc/02/40/49/1334024049.db2.gz YKGVRUNOOBDIMZ-QGZVFWFLSA-N 2 0 334.483 2.199 20 10 EECDRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000848722286 1338748172 /nfs/dbraw/zinc/74/81/72/1338748172.db2.gz MPHDXMXIMWOQGR-UONOGXRCSA-N 2 0 325.403 2.161 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000832282109 1372423473 /nfs/dbraw/zinc/42/34/73/1372423473.db2.gz YHULGZZGNGABLY-ZWKOTPCHSA-N 2 0 332.492 2.166 20 10 EECDRP Cc1nccn1CCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809752908 783362411 /nfs/dbraw/zinc/36/24/11/783362411.db2.gz KGNXJEPQZCEQPW-UHFFFAOYSA-N 2 0 341.503 2.465 20 10 EECDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817888818 785024354 /nfs/dbraw/zinc/02/43/54/785024354.db2.gz PBXKMEFHSTYOTN-WBAXXEDZSA-N 2 0 335.517 2.082 20 10 EECDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)CC1 ZINC000921732739 795639677 /nfs/dbraw/zinc/63/96/77/795639677.db2.gz JKEPTHZFAQPUTN-SFHVURJKSA-N 2 0 329.488 2.270 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3CCOC3)cc2F)CC1 ZINC000155265653 462867614 /nfs/dbraw/zinc/86/76/14/462867614.db2.gz UFKDCPNMBLIBII-WBVHZDCISA-N 2 0 335.467 2.482 20 10 EECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000185353028 463806905 /nfs/dbraw/zinc/80/69/05/463806905.db2.gz RSMJNRNTJPQDKG-OAHLLOKOSA-N 2 0 335.492 2.325 20 10 EECDRP C[N@H+](Cc1ccccc1O)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310786 464619716 /nfs/dbraw/zinc/61/97/16/464619716.db2.gz ZMBCOZKDQGXVBH-HXUWFJFHSA-N 2 0 326.440 2.461 20 10 EECDRP COC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000775726314 577443920 /nfs/dbraw/zinc/44/39/20/577443920.db2.gz SWPTWFWOSYTQER-UHFFFAOYSA-N 2 0 345.487 2.356 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1C ZINC001019044387 1228666957 /nfs/dbraw/zinc/66/69/57/1228666957.db2.gz SRHCMTFHKZVZMU-ROUUACIJSA-N 2 0 345.487 2.178 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC001235883657 1305437184 /nfs/dbraw/zinc/43/71/84/1305437184.db2.gz IIUMZQICJQHYRM-HXUWFJFHSA-N 3 0 328.504 2.060 20 10 EECDRP CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236133103 1305509859 /nfs/dbraw/zinc/50/98/59/1305509859.db2.gz PZSRUVITFNJWNQ-GOSISDBHSA-N 2 0 334.483 2.151 20 10 EECDRP COc1cc(CN2CC[NH+](C3CCC3)CC2)cc(C[NH+](C)C)c1O ZINC001139253341 1314721711 /nfs/dbraw/zinc/72/17/11/1314721711.db2.gz RJWQXSJNTYXZGL-UHFFFAOYSA-N 2 0 333.476 2.133 20 10 EECDRP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC001139410759 1314740473 /nfs/dbraw/zinc/74/04/73/1314740473.db2.gz CKMOYKFVTMADLM-WOJBJXKFSA-N 3 0 342.531 2.212 20 10 EECDRP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCN(C)CC1 ZINC001139409597 1314740820 /nfs/dbraw/zinc/74/08/20/1314740820.db2.gz MUJUXIXFEYILTH-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP Cn1ncc2c1CCC[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000840954035 1315445539 /nfs/dbraw/zinc/44/55/39/1315445539.db2.gz CAAYVZORWWADJT-UHFFFAOYSA-N 2 0 339.487 2.120 20 10 EECDRP COC[C@]1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000841068099 1315467263 /nfs/dbraw/zinc/46/72/63/1315467263.db2.gz VAFOQZDKFFVTIT-LJQANCHMSA-N 2 0 333.476 2.022 20 10 EECDRP c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120891 1315847973 /nfs/dbraw/zinc/84/79/73/1315847973.db2.gz DRIRPFDNNRZRHR-HXUWFJFHSA-N 2 0 328.504 2.156 20 10 EECDRP COc1cccc(C[N@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1O ZINC001203591252 1321918218 /nfs/dbraw/zinc/91/82/18/1321918218.db2.gz FJNVWJFGSRYZHC-CALCHBBNSA-N 2 0 339.439 2.360 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Br ZINC001205247163 1322330239 /nfs/dbraw/zinc/33/02/39/1322330239.db2.gz CBQNIIOOBSDRRW-OAHLLOKOSA-N 2 0 343.265 2.139 20 10 EECDRP C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001328792091 1334522341 /nfs/dbraw/zinc/52/23/41/1334522341.db2.gz MHTVNIAOPJNYEX-RDJZCZTQSA-N 2 0 335.467 2.028 20 10 EECDRP COC(=O)[C@@H](C)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000780893437 1371172679 /nfs/dbraw/zinc/17/26/79/1371172679.db2.gz PXXPBWHAJRCELN-INIZCTEOSA-N 2 0 345.487 2.212 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001752754037 1406374505 /nfs/dbraw/zinc/37/45/05/1406374505.db2.gz LUCKSFUROOCFQS-CALCHBBNSA-N 2 0 333.476 2.082 20 10 EECDRP COC1([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000817420166 784769941 /nfs/dbraw/zinc/76/99/41/784769941.db2.gz OYJPBKSOHJPFBK-QGZVFWFLSA-N 2 0 347.503 2.112 20 10 EECDRP COc1ccc(N2CCC([NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CC2)cc1 ZINC000817903963 785058785 /nfs/dbraw/zinc/05/87/85/785058785.db2.gz YKARQWVEEZRJEG-GDIGMMSISA-N 2 0 333.476 2.006 20 10 EECDRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1O ZINC000817982052 785131994 /nfs/dbraw/zinc/13/19/94/785131994.db2.gz PIJBXBZMFIBQSB-JQWIXIFHSA-N 2 0 329.238 2.184 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001127077273 788482405 /nfs/dbraw/zinc/48/24/05/788482405.db2.gz AWWDLZSLIOORTQ-KRWDZBQOSA-N 2 0 333.476 2.082 20 10 EECDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000151559875 463552349 /nfs/dbraw/zinc/55/23/49/463552349.db2.gz IPZVKBQDRSBWTK-VQIMIIECSA-N 2 0 331.504 2.468 20 10 EECDRP CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000373247874 466742369 /nfs/dbraw/zinc/74/23/69/466742369.db2.gz UGSDTKXOTKVDNH-FQEVSTJZSA-N 2 0 330.520 2.353 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000775669192 577442261 /nfs/dbraw/zinc/44/22/61/577442261.db2.gz UKFMTBDSNNOOOB-HXUWFJFHSA-N 2 0 328.504 2.109 20 10 EECDRP COc1ccc(N2CC[NH+](CCCNc3cc[nH+]cc3C)CC2)cc1 ZINC000757704642 577862873 /nfs/dbraw/zinc/86/28/73/577862873.db2.gz USVVRSOSTZGFNP-UHFFFAOYSA-N 2 0 340.471 2.445 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[NH+](C)C)cc1 ZINC000891249649 676244347 /nfs/dbraw/zinc/24/43/47/676244347.db2.gz VIBUHIQCMKQSIQ-MOPGFXCFSA-N 2 0 344.503 2.098 20 10 EECDRP CN(C)c1ccc([C@H](N)C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210643 1198531700 /nfs/dbraw/zinc/53/17/00/1198531700.db2.gz MUCMRYDPZNZOFA-QGZVFWFLSA-N 2 0 330.501 2.249 20 10 EECDRP Cc1cc(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)ccc1N(C)C ZINC001275361067 1205320346 /nfs/dbraw/zinc/32/03/46/1205320346.db2.gz MRSGOFKSLGRRLG-UHFFFAOYSA-N 2 0 330.520 2.130 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](COC)C3CC3)cc2F)CC1 ZINC000155325590 1208324187 /nfs/dbraw/zinc/32/41/87/1208324187.db2.gz LJKLUUKAKFGKDF-GOSISDBHSA-N 2 0 335.467 2.482 20 10 EECDRP [NH3+][C@H](CC(=O)NCC1(CC2CCC2)CC[NH2+]CC1)c1ccccc1O ZINC001221130040 1298677472 /nfs/dbraw/zinc/67/74/72/1298677472.db2.gz FDGMVHHFGSUNMD-QGZVFWFLSA-N 2 0 345.487 2.458 20 10 EECDRP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001276861811 1299970607 /nfs/dbraw/zinc/97/06/07/1299970607.db2.gz SQUAXKNEXLDLSB-ALOPSCKCSA-N 2 0 333.476 2.177 20 10 EECDRP COC(=O)Cc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c(O)c1 ZINC001277421268 1302950424 /nfs/dbraw/zinc/95/04/24/1302950424.db2.gz RTAAHRXFWDHMPO-UHFFFAOYSA-N 2 0 332.444 2.025 20 10 EECDRP CN(C)c1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(O)c1 ZINC001232840176 1304267093 /nfs/dbraw/zinc/26/70/93/1304267093.db2.gz OFOGWJJFCNPPJH-UHFFFAOYSA-N 2 0 336.524 2.164 20 10 EECDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(O)ccc(F)c1F ZINC001233335134 1304435267 /nfs/dbraw/zinc/43/52/67/1304435267.db2.gz IOGPQGFFNXHZDS-UHFFFAOYSA-N 2 0 329.435 2.376 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235433062 1305226497 /nfs/dbraw/zinc/22/64/97/1305226497.db2.gz ZKPNIKJJMVXVTE-PMACEKPBSA-N 3 0 342.531 2.308 20 10 EECDRP CCOC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236070917 1305490183 /nfs/dbraw/zinc/49/01/83/1305490183.db2.gz CLDMRBKMJMLQHF-FQEVSTJZSA-N 2 0 345.487 2.261 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237386882 1305913972 /nfs/dbraw/zinc/91/39/72/1305913972.db2.gz BAHRYIZDUPJNKG-UYAOXDASSA-N 3 0 328.504 2.012 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237404647 1305921948 /nfs/dbraw/zinc/92/19/48/1305921948.db2.gz OHKVMLOMIDZYKY-FPOVZHCZSA-N 3 0 342.531 2.402 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@H]4[NH2+]CCC[C@@H]4C3)c(F)c2)CC1 ZINC001237413076 1305924323 /nfs/dbraw/zinc/92/43/23/1305924323.db2.gz IWZRAAIIVGUHPL-YLJYHZDGSA-N 2 0 346.494 2.151 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(N4CC(F)C4)CC3)cc2)CC1 ZINC001139413699 1314741728 /nfs/dbraw/zinc/74/17/28/1314741728.db2.gz YAJRPCWDCBVLKZ-UHFFFAOYSA-N 2 0 346.494 2.057 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4[C@H](C3)CCCN4C)cc2)CC1 ZINC001140309721 1314864611 /nfs/dbraw/zinc/86/46/11/1314864611.db2.gz RWDPPJVTLQDYBR-FPOVZHCZSA-N 2 0 342.531 2.355 20 10 EECDRP CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841005279 1315452794 /nfs/dbraw/zinc/45/27/94/1315452794.db2.gz KKALZDRURJUCGH-GOSISDBHSA-N 2 0 346.519 2.160 20 10 EECDRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000841031890 1315459270 /nfs/dbraw/zinc/45/92/70/1315459270.db2.gz AHYSLDLRKRBBHW-UHFFFAOYSA-N 2 0 343.446 2.453 20 10 EECDRP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH2+]CC1 ZINC000843044951 1315827397 /nfs/dbraw/zinc/82/73/97/1315827397.db2.gz NMYYPEFSNMDDOC-UHFFFAOYSA-N 3 0 330.520 2.402 20 10 EECDRP COCCOc1ccc(N2CCN([C@@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254529560 1318110277 /nfs/dbraw/zinc/11/02/77/1318110277.db2.gz NSWJRHCKWZRUEZ-GOSISDBHSA-N 2 0 347.503 2.318 20 10 EECDRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832280532 1372423079 /nfs/dbraw/zinc/42/30/79/1372423079.db2.gz PBULEURKWLXEMS-SCLBCKFNSA-N 2 0 326.444 2.202 20 10 EECDRP CCOc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(O)c1 ZINC000809734617 783315726 /nfs/dbraw/zinc/31/57/26/783315726.db2.gz LNLYSDSOWYRGII-UHFFFAOYSA-N 2 0 335.492 2.249 20 10 EECDRP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1 ZINC000817971628 785122807 /nfs/dbraw/zinc/12/28/07/785122807.db2.gz FWVDYUUQFXQYSJ-UKRRQHHQSA-N 2 0 345.409 2.496 20 10 EECDRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1O ZINC000817974140 785125547 /nfs/dbraw/zinc/12/55/47/785125547.db2.gz ZHCZDBAANRELSA-YGRLFVJLSA-N 2 0 335.345 2.018 20 10 EECDRP [NH3+]CC[C@H]1CN(c2nc(Cl)nc3c2CC[NH2+]CC3)c2ccccc21 ZINC001168544871 789047602 /nfs/dbraw/zinc/04/76/02/789047602.db2.gz MDODARRSRSSZOL-LBPRGKRZSA-N 2 0 343.862 2.402 20 10 EECDRP C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1CC[NH3+] ZINC000846226160 790093622 /nfs/dbraw/zinc/09/36/22/790093622.db2.gz JAWSYBLQIQSJFN-APWZRJJASA-N 2 0 346.519 2.160 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC000998731250 793316948 /nfs/dbraw/zinc/31/69/48/793316948.db2.gz MNUVUCUTACSSOD-ROUUACIJSA-N 2 0 345.487 2.178 20 10 EECDRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC000999490077 794591228 /nfs/dbraw/zinc/59/12/28/794591228.db2.gz OKKUUITZIHRQTD-QZTJIDSGSA-N 2 0 347.503 2.424 20 10 EECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368329916 466597470 /nfs/dbraw/zinc/59/74/70/466597470.db2.gz UTTPDSNIMBMKBI-HUUCEWRRSA-N 2 0 333.476 2.220 20 10 EECDRP CO[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000771839508 577233623 /nfs/dbraw/zinc/23/36/23/577233623.db2.gz WPFVQWWGMCJDSS-HNNXBMFYSA-N 2 0 331.382 2.105 20 10 EECDRP CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771844225 577233809 /nfs/dbraw/zinc/23/38/09/577233809.db2.gz RNFIPQKQCPHSJD-IBGZPJMESA-N 2 0 333.476 2.260 20 10 EECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726598 577443977 /nfs/dbraw/zinc/44/39/77/577443977.db2.gz USROIWYMYLCDCN-LJQANCHMSA-N 3 0 330.520 2.212 20 10 EECDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251031 676247274 /nfs/dbraw/zinc/24/72/74/676247274.db2.gz BYGNJYJLVYZBSY-MDZRGWNJSA-N 2 0 346.519 2.344 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1C ZINC001022714295 678308473 /nfs/dbraw/zinc/30/84/73/678308473.db2.gz SZTZXXZPHTXERP-JCGIZDLHSA-N 2 0 345.487 2.082 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Cn1cccn1 ZINC000873047714 1198484139 /nfs/dbraw/zinc/48/41/39/1198484139.db2.gz AKULOTBIYCHRGI-QGZVFWFLSA-N 2 0 328.460 2.371 20 10 EECDRP COc1cncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000883283883 1202040509 /nfs/dbraw/zinc/04/05/09/1202040509.db2.gz WXCDEWRTVRHCGN-UHFFFAOYSA-N 2 0 326.444 2.132 20 10 EECDRP CC[NH+]1CCN(c2ccc(O[C@@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC001218451067 1297667295 /nfs/dbraw/zinc/66/72/95/1297667295.db2.gz CDZABMAQHLTXEO-MRXNPFEDSA-N 2 0 325.403 2.205 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3c(C)cccc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222136282 1299380350 /nfs/dbraw/zinc/38/03/50/1299380350.db2.gz PDDYQMMIGKOLNC-KXBFYZLASA-N 2 0 332.444 2.065 20 10 EECDRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001276875855 1300039545 /nfs/dbraw/zinc/03/95/45/1300039545.db2.gz JZOXBXXEXTXQNO-CTXDPNEZSA-N 3 0 328.504 2.153 20 10 EECDRP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(O)cc1O ZINC001231639994 1303876382 /nfs/dbraw/zinc/87/63/82/1303876382.db2.gz NXUVCQNNXNWJLC-UHFFFAOYSA-N 2 0 329.400 2.132 20 10 EECDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(OC(F)(F)F)c1O ZINC001233755712 1304579029 /nfs/dbraw/zinc/57/90/29/1304579029.db2.gz XNDVMYACPBVMLC-UHFFFAOYSA-N 2 0 349.397 2.216 20 10 EECDRP Cc1ccc(O)c([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000840830032 1315419142 /nfs/dbraw/zinc/41/91/42/1315419142.db2.gz BGLGQDFJTILVOS-KRWDZBQOSA-N 2 0 347.503 2.148 20 10 EECDRP c1cc(N2CCCCC2)ccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120890 1315847768 /nfs/dbraw/zinc/84/77/68/1315847768.db2.gz DRIRPFDNNRZRHR-FQEVSTJZSA-N 2 0 328.504 2.156 20 10 EECDRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1N1CCOCC1 ZINC000843126651 1315849088 /nfs/dbraw/zinc/84/90/88/1315849088.db2.gz SDIZFHLODHCGAU-GVDBMIGSSA-N 2 0 333.451 2.140 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618023 1323217874 /nfs/dbraw/zinc/21/78/74/1323217874.db2.gz QRKUNJHHEYKLCO-IEBWSBKVSA-N 3 0 330.520 2.245 20 10 EECDRP CN1CCN(c2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC001326077694 1334023979 /nfs/dbraw/zinc/02/39/79/1334023979.db2.gz YKGVRUNOOBDIMZ-KRWDZBQOSA-N 2 0 334.483 2.199 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001755484314 1407519260 /nfs/dbraw/zinc/51/92/60/1407519260.db2.gz PFIRRBGNYMBXIL-IYARVYRRSA-N 2 0 347.503 2.328 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc2)CC1 ZINC000816641649 784164438 /nfs/dbraw/zinc/16/44/38/784164438.db2.gz ATYBUKYAHNMVHO-OAQYLSRUSA-N 3 0 342.531 2.356 20 10 EECDRP Cc1ccc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1C ZINC000817971834 785122257 /nfs/dbraw/zinc/12/22/57/785122257.db2.gz HPDJSAVYGYCGNX-ZFWWWQNUSA-N 2 0 345.409 2.496 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCN3CCCC3(C)C)cc2)CC1 ZINC000825325854 788571598 /nfs/dbraw/zinc/57/15/98/788571598.db2.gz HJLBIPARMVKXTL-UHFFFAOYSA-N 2 0 330.520 2.402 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1C ZINC001127256603 794423584 /nfs/dbraw/zinc/42/35/84/794423584.db2.gz PCNVBJKCQFFPNK-ZWKOTPCHSA-N 2 0 345.487 2.084 20 10 EECDRP Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)cc1Br ZINC001205255550 801478038 /nfs/dbraw/zinc/47/80/38/801478038.db2.gz JZSCCWXHAAYBOS-HNNXBMFYSA-N 2 0 343.265 2.139 20 10 EECDRP CCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1O ZINC000093132930 237040440 /nfs/dbraw/zinc/04/04/40/237040440.db2.gz LDWSZJJJKMMHSY-QGZVFWFLSA-N 2 0 333.476 2.003 20 10 EECDRP CCN(C)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000773773441 577364085 /nfs/dbraw/zinc/36/40/85/577364085.db2.gz RCKPVXRJEPRKGN-UHFFFAOYSA-N 2 0 346.519 2.033 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000775726226 577443931 /nfs/dbraw/zinc/44/39/31/577443931.db2.gz PZSISKUZSGVSKC-OALUTQOASA-N 2 0 329.488 2.297 20 10 EECDRP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876779644 1199770808 /nfs/dbraw/zinc/77/08/08/1199770808.db2.gz ASTIEYBPMHUESO-GOSISDBHSA-N 2 0 331.504 2.421 20 10 EECDRP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289956 1202041442 /nfs/dbraw/zinc/04/14/42/1202041442.db2.gz GEALAWBTSLLQSZ-QGZVFWFLSA-N 2 0 327.476 2.203 20 10 EECDRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(O)cc3O)(C1)CCC2 ZINC001275953602 1205600542 /nfs/dbraw/zinc/60/05/42/1205600542.db2.gz ZFYOAFVXGBFVMK-RBUKOAKNSA-N 2 0 333.476 2.184 20 10 EECDRP COc1ccc(N2CCOC[C@@]3(CCC[N@H+](CCCC[NH3+])C3)C2)cc1 ZINC001235493628 1305252904 /nfs/dbraw/zinc/25/29/04/1305252904.db2.gz PNCPYPFKBFDNDZ-HXUWFJFHSA-N 2 0 347.503 2.353 20 10 EECDRP CCC[C@H]1CN(Cc2ccc(N3CC[NH+](CC)CC3)cc2)CC[NH2+]1 ZINC001236178856 1305524569 /nfs/dbraw/zinc/52/45/69/1305524569.db2.gz UZLLPNNLQUFAGX-IBGZPJMESA-N 2 0 330.520 2.402 20 10 EECDRP C[NH+]1CCN(c2ccc(CN(C3CC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238859 1305541394 /nfs/dbraw/zinc/54/13/94/1305541394.db2.gz HMJHIVGKORAOQB-HXUWFJFHSA-N 2 0 328.504 2.155 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[N@H+](C)[C@@H]4C3)c(F)c2)CC1 ZINC001236948911 1305742867 /nfs/dbraw/zinc/74/28/67/1305742867.db2.gz YDKSAIUAPOZVHV-YLJYHZDGSA-N 2 0 346.494 2.104 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4CCCO[C@@H]4C3)cc2)CC1 ZINC001139408998 1314740671 /nfs/dbraw/zinc/74/06/71/1314740671.db2.gz RRAMHMRUYQIADJ-UYAOXDASSA-N 2 0 329.488 2.439 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](N)[C@@H](F)CC3)cc2)CC1 ZINC001206173748 1323414089 /nfs/dbraw/zinc/41/40/89/1323414089.db2.gz JVQGEQNUPHDGNA-RBUKOAKNSA-N 2 0 334.483 2.090 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1C ZINC001209322851 1324901830 /nfs/dbraw/zinc/90/18/30/1324901830.db2.gz ACJRASIOKQPGFW-GOSISDBHSA-N 2 0 347.503 2.426 20 10 EECDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140665221 1372629806 /nfs/dbraw/zinc/62/98/06/1372629806.db2.gz IGGYEPZSSLYVMD-WBVHZDCISA-N 2 0 333.451 2.046 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C34CCCC4)cc2)CC1 ZINC000816630351 784140261 /nfs/dbraw/zinc/14/02/61/784140261.db2.gz BHGBEPJDFTZLPU-LJQANCHMSA-N 2 0 329.488 2.318 20 10 EECDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893794 785048660 /nfs/dbraw/zinc/04/86/60/785048660.db2.gz HXZUXQSHIIBVID-UZLBHIALSA-N 2 0 331.504 2.373 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000817902289 785055658 /nfs/dbraw/zinc/05/56/58/785055658.db2.gz MKIQPJLDXNJAFH-APWZRJJASA-N 3 0 348.510 2.445 20 10 EECDRP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000824988891 788389532 /nfs/dbraw/zinc/38/95/32/788389532.db2.gz SZQVKVYYKUGUAL-CTXDPNEZSA-N 3 0 328.504 2.153 20 10 EECDRP CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825336976 788577937 /nfs/dbraw/zinc/57/79/37/788577937.db2.gz BMJNVTXCOZWLMH-FQEVSTJZSA-N 2 0 330.520 2.353 20 10 EECDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846139470 790072358 /nfs/dbraw/zinc/07/23/58/790072358.db2.gz NUICTEMOZFHMJV-INIZCTEOSA-N 2 0 335.492 2.469 20 10 EECDRP COc1cccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1O ZINC000846144623 790073894 /nfs/dbraw/zinc/07/38/94/790073894.db2.gz JREYSICVABPRMS-HNNXBMFYSA-N 2 0 335.492 2.325 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C ZINC000998731251 793316913 /nfs/dbraw/zinc/31/69/13/793316913.db2.gz MNUVUCUTACSSOD-ZWKOTPCHSA-N 2 0 345.487 2.178 20 10 EECDRP CCCOc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(O)c1 ZINC000289414548 464078174 /nfs/dbraw/zinc/07/81/74/464078174.db2.gz IGXKTWZQWUFJBB-UHFFFAOYSA-N 2 0 335.492 2.250 20 10 EECDRP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(F)ccc1O ZINC000273561309 464719354 /nfs/dbraw/zinc/71/93/54/464719354.db2.gz ICJMJSABPRZCFT-CJNGLKHVSA-N 2 0 337.439 2.125 20 10 EECDRP CCOc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000377629028 467101035 /nfs/dbraw/zinc/10/10/35/467101035.db2.gz PAAJMZCFFQBTGW-SFHVURJKSA-N 2 0 347.503 2.391 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2)CC1 ZINC000775742332 577444428 /nfs/dbraw/zinc/44/44/28/577444428.db2.gz UEWQWQKBMLSYMB-FPOVZHCZSA-N 3 0 342.531 2.355 20 10 EECDRP CC(C)[C@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+](C)C ZINC000891253956 676250191 /nfs/dbraw/zinc/25/01/91/676250191.db2.gz VHGLRUAPNBQPNE-ZWKOTPCHSA-N 2 0 334.508 2.058 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001019655534 1229236441 /nfs/dbraw/zinc/23/64/41/1229236441.db2.gz TVJYIXWHFURRKW-ROUUACIJSA-N 2 0 345.487 2.036 20 10 EECDRP COc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850119410 1277044578 /nfs/dbraw/zinc/04/45/78/1277044578.db2.gz OWMBIYSJQXGWHN-HNNXBMFYSA-N 2 0 349.519 2.424 20 10 EECDRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001186496596 1279116682 /nfs/dbraw/zinc/11/66/82/1279116682.db2.gz MKDGWGWXUDLSLP-QGZVFWFLSA-N 2 0 333.476 2.036 20 10 EECDRP Nc1ccc(N(Cc2ccccc2)C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001218955915 1297880925 /nfs/dbraw/zinc/88/09/25/1297880925.db2.gz RDEOWDGOOYPPCP-LJQANCHMSA-N 2 0 338.455 2.129 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243893 1299435078 /nfs/dbraw/zinc/43/50/78/1299435078.db2.gz QOBAJFVILCIHHK-HXUWFJFHSA-N 2 0 328.504 2.156 20 10 EECDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001276875471 1300038106 /nfs/dbraw/zinc/03/81/06/1300038106.db2.gz AQCWPUSXMAAIHF-OAQYLSRUSA-N 3 0 342.531 2.356 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC4(C3)CCCC[NH2+]4)cc2)CC1 ZINC001235920802 1305447472 /nfs/dbraw/zinc/44/74/72/1305447472.db2.gz DUOHPXWPFBGEGA-UHFFFAOYSA-N 2 0 328.504 2.156 20 10 EECDRP CN(C)c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c2ccccc21 ZINC001235992684 1305469620 /nfs/dbraw/zinc/46/96/20/1305469620.db2.gz KTSVKVHKPVYLNB-NYTJIUQPSA-N 2 0 325.456 2.311 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[NH2+]C4=CCCC[C@@H]43)c(F)c2)CC1 ZINC001237227830 1305856795 /nfs/dbraw/zinc/85/67/95/1305856795.db2.gz DOXYNPWUGGHQCX-FQEVSTJZSA-N 2 0 344.478 2.419 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139254653 1314721897 /nfs/dbraw/zinc/72/18/97/1314721897.db2.gz KKVCBBICWGMNTB-LJQANCHMSA-N 2 0 334.460 2.465 20 10 EECDRP CC[NH+]1CCC(N(C)Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139256952 1314722059 /nfs/dbraw/zinc/72/20/59/1314722059.db2.gz NKCYGALRCFDRLE-UHFFFAOYSA-N 2 0 335.492 2.379 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)CC[NH+](C)CC4)cc2)CC1 ZINC001140306514 1314863382 /nfs/dbraw/zinc/86/33/82/1314863382.db2.gz SUOXDNGZEVAZHB-UHFFFAOYSA-N 3 0 342.531 2.356 20 10 EECDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(O)ccc1O)C2 ZINC001141159576 1315051165 /nfs/dbraw/zinc/05/11/65/1315051165.db2.gz HGWIHPRFKXUMJV-XLIONFOSSA-N 2 0 346.471 2.278 20 10 EECDRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001257038503 1318923150 /nfs/dbraw/zinc/92/31/50/1318923150.db2.gz PIMFJSHBHXDFMM-MSOLQXFVSA-N 2 0 345.487 2.260 20 10 EECDRP Oc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c(O)c1 ZINC001204272287 1322099418 /nfs/dbraw/zinc/09/94/18/1322099418.db2.gz MHFJNBFECZKIDX-UHFFFAOYSA-N 2 0 334.460 2.422 20 10 EECDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001205248702 1322330106 /nfs/dbraw/zinc/33/01/06/1322330106.db2.gz RNZVBPWOSDXRDV-OAHLLOKOSA-N 2 0 348.365 2.009 20 10 EECDRP c1ccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001210216000 1325202711 /nfs/dbraw/zinc/20/27/11/1325202711.db2.gz OUFIWWKEKLRWKL-NRFANRHFSA-N 2 0 336.483 2.243 20 10 EECDRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000848722281 1338748234 /nfs/dbraw/zinc/74/82/34/1338748234.db2.gz MPHDXMXIMWOQGR-KBPBESRZSA-N 2 0 325.403 2.161 20 10 EECDRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C[NH3+] ZINC000817865983 785032484 /nfs/dbraw/zinc/03/24/84/785032484.db2.gz QUYLOJGHKHNWOV-HLLBOEOZSA-N 2 0 335.467 2.468 20 10 EECDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1 ZINC000817971663 785121898 /nfs/dbraw/zinc/12/18/98/785121898.db2.gz GDDLMAYGFGKYQM-IUODEOHRSA-N 2 0 331.382 2.187 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC34CC[NH+](C)CC4)cc2)CC1 ZINC000789558911 808078642 /nfs/dbraw/zinc/07/86/42/808078642.db2.gz FLDRRLZZLNZICU-UHFFFAOYSA-N 3 0 342.531 2.499 20 10 EECDRP COc1ccc(O)c(CN2CCN(C3=NCC(C)(C)S3)CC2)c1 ZINC000271753129 464371653 /nfs/dbraw/zinc/37/16/53/464371653.db2.gz WFZAIRSHPUZRMB-UHFFFAOYSA-N 2 0 335.473 2.400 20 10 EECDRP CCOc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000370704793 466972998 /nfs/dbraw/zinc/97/29/98/466972998.db2.gz BKXRUWWZYLRTMK-AEFFLSMTSA-N 2 0 347.503 2.249 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)c3cccs3)cc2)CC1 ZINC000771843061 577233888 /nfs/dbraw/zinc/23/38/88/577233888.db2.gz PWGRZLISZKODBG-LJQANCHMSA-N 2 0 345.512 2.497 20 10 EECDRP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1C ZINC000756551658 577846455 /nfs/dbraw/zinc/84/64/55/577846455.db2.gz WGTFNFMBFITLCR-HOTGVXAUSA-N 2 0 333.476 2.247 20 10 EECDRP CC(=O)OC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000893227347 684183846 /nfs/dbraw/zinc/18/38/46/684183846.db2.gz XFCANJKORIOINY-MRXNPFEDSA-N 2 0 345.487 2.260 20 10 EECDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877158974 1199872287 /nfs/dbraw/zinc/87/22/87/1199872287.db2.gz PQALEJNWTPTWOW-FQEVSTJZSA-N 2 0 349.519 2.094 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](n4cccn4)C3)cc2)CC1 ZINC000812780954 1200912503 /nfs/dbraw/zinc/91/25/03/1200912503.db2.gz XLIFZYCGWVLYPK-LJQANCHMSA-N 2 0 325.460 2.082 20 10 EECDRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001000227583 1240083061 /nfs/dbraw/zinc/08/30/61/1240083061.db2.gz OKKUUITZIHRQTD-ROUUACIJSA-N 2 0 347.503 2.424 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCN(C(C)(C)C)C3)cc2)CC1 ZINC000850350361 1277194116 /nfs/dbraw/zinc/19/41/16/1277194116.db2.gz AUHFDFPKSVCUFB-SFHVURJKSA-N 2 0 330.520 2.401 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001188158517 1279790562 /nfs/dbraw/zinc/79/05/62/1279790562.db2.gz RFAIOFMOIJZYLN-QGZVFWFLSA-N 2 0 333.476 2.034 20 10 EECDRP CN(C)c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC001234970597 1305066334 /nfs/dbraw/zinc/06/63/34/1305066334.db2.gz JRHMECSQJZHKCH-OXQOHEQNSA-N 2 0 325.456 2.326 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)c(F)c2)CC1 ZINC001236943992 1305741204 /nfs/dbraw/zinc/74/12/04/1305741204.db2.gz YHKWTKPMTXXGNI-APWZRJJASA-N 2 0 333.451 2.188 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253128 1314721560 /nfs/dbraw/zinc/72/15/60/1314721560.db2.gz MYZCMLMDSBVFHO-AUUYWEPGSA-N 2 0 336.476 2.445 20 10 EECDRP CC[N@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1CCN(C)CC1 ZINC001139256439 1314722017 /nfs/dbraw/zinc/72/20/17/1314722017.db2.gz BGDAFXMARIDGRU-UHFFFAOYSA-N 2 0 335.492 2.379 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2)CC1 ZINC001140306193 1314863037 /nfs/dbraw/zinc/86/30/37/1314863037.db2.gz OMXGXLMWOIQORC-NRFANRHFSA-N 3 0 342.531 2.356 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3C[C@@H]4CC(=O)C[C@H]4C3)cc2)CC1 ZINC001254932765 1318228281 /nfs/dbraw/zinc/22/82/81/1318228281.db2.gz ZIIKJIMRDXBWEX-IAGOWNOFSA-N 2 0 327.472 2.286 20 10 EECDRP CCOC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001257038506 1318923253 /nfs/dbraw/zinc/92/32/53/1318923253.db2.gz PIMFJSHBHXDFMM-ZWKOTPCHSA-N 2 0 345.487 2.260 20 10 EECDRP CC(C)[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCC[NH2+]CC1 ZINC001206597930 1323542526 /nfs/dbraw/zinc/54/25/26/1323542526.db2.gz GLIPBASNFAYRNI-SFHVURJKSA-N 3 0 346.519 2.154 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2 ZINC001580890356 1344569594 /nfs/dbraw/zinc/56/95/94/1344569594.db2.gz IOBPTYRQGJHNLJ-UHFFFAOYSA-N 2 0 337.467 2.459 20 10 EECDRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1O ZINC000817974139 785125251 /nfs/dbraw/zinc/12/52/51/785125251.db2.gz ZHCZDBAANRELSA-QMTHXVAHSA-N 2 0 335.345 2.018 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)cc2)CC1 ZINC000824845887 788335486 /nfs/dbraw/zinc/33/54/86/788335486.db2.gz ODAJGCHVWSNYCF-SFTDATJTSA-N 2 0 343.515 2.325 20 10 EECDRP CCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000844221197 788912654 /nfs/dbraw/zinc/91/26/54/788912654.db2.gz KAMRNMHBUBMROU-UHFFFAOYSA-N 2 0 346.519 2.175 20 10 EECDRP Oc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001144509052 789909554 /nfs/dbraw/zinc/90/95/54/789909554.db2.gz JJFUDTFJMDCJLF-IYBDPMFKSA-N 2 0 340.423 2.367 20 10 EECDRP CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001082748642 797658055 /nfs/dbraw/zinc/65/80/55/797658055.db2.gz UUUAMEYFUNKCBF-NXHRZFHOSA-N 2 0 347.503 2.280 20 10 EECDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001176992563 798683933 /nfs/dbraw/zinc/68/39/33/798683933.db2.gz UFLNOULJSNGPDI-SFHVURJKSA-N 2 0 347.503 2.474 20 10 EECDRP CN(C)c1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(C(F)(F)F)c1 ZINC000792991814 810098848 /nfs/dbraw/zinc/09/88/48/810098848.db2.gz JXSRINHVNYXENH-UHFFFAOYSA-N 2 0 345.409 2.318 20 10 EECDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296042663 465060293 /nfs/dbraw/zinc/06/02/93/465060293.db2.gz QRYKLJKRCJCLRD-QGZVFWFLSA-N 2 0 338.455 2.316 20 10 EECDRP Oc1ccc(F)cc1C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000293524389 464408967 /nfs/dbraw/zinc/40/89/67/464408967.db2.gz BGAJRUOQHSTKTJ-GOSISDBHSA-N 2 0 330.403 2.040 20 10 EECDRP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)Cn1ccnc1 ZINC000771818919 577232473 /nfs/dbraw/zinc/23/24/73/577232473.db2.gz NSQOYXIZAFWYHJ-KRWDZBQOSA-N 2 0 327.476 2.061 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@](C)(CO)c3ccccc3)cc2)CC1 ZINC000771853792 577234423 /nfs/dbraw/zinc/23/44/23/577234423.db2.gz PARKFHGCTYFYIH-NRFANRHFSA-N 2 0 339.483 2.436 20 10 EECDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000775653242 577441875 /nfs/dbraw/zinc/44/18/75/577441875.db2.gz AZNFTHRMNIDMDU-IBGZPJMESA-N 3 0 330.520 2.212 20 10 EECDRP Cc1cc(O)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000894376693 682702571 /nfs/dbraw/zinc/70/25/71/682702571.db2.gz UHDXBZUXGCNUAQ-UHFFFAOYSA-N 2 0 325.884 2.471 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC001026733919 684925257 /nfs/dbraw/zinc/92/52/57/684925257.db2.gz JUTRKJHUSWNCGD-MSOLQXFVSA-N 2 0 345.487 2.036 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001034885158 1196831574 /nfs/dbraw/zinc/83/15/74/1196831574.db2.gz PPCCDVIEUFFUDS-MSOLQXFVSA-N 2 0 345.487 2.178 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H](O)C3CCCC3)cc2)CC1 ZINC000865874503 1198410649 /nfs/dbraw/zinc/41/06/49/1198410649.db2.gz FLUPJOFUEOCJDL-HXUWFJFHSA-N 2 0 331.504 2.469 20 10 EECDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Br)cc1O ZINC000825916652 1199785093 /nfs/dbraw/zinc/78/50/93/1199785093.db2.gz RPXQJBQELGBHIM-UHFFFAOYSA-N 2 0 344.297 2.080 20 10 EECDRP CN1CCCc2cc(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)ccc21 ZINC000876987390 1199837590 /nfs/dbraw/zinc/83/75/90/1199837590.db2.gz YMBDZBVXJUQHAY-UHFFFAOYSA-N 2 0 331.504 2.394 20 10 EECDRP CCC[NH+]1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000883289070 1202041434 /nfs/dbraw/zinc/04/14/34/1202041434.db2.gz CPJAUESYCNYJSJ-UHFFFAOYSA-N 3 0 330.520 2.402 20 10 EECDRP Cc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001275315780 1205306629 /nfs/dbraw/zinc/30/66/29/1205306629.db2.gz XNRUQQDOWFFWJJ-HDICACEKSA-N 2 0 331.504 2.406 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1C ZINC001020302730 1229614786 /nfs/dbraw/zinc/61/47/86/1229614786.db2.gz QRTJSVVBWQOEGN-BZSNNMDCSA-N 2 0 345.487 2.225 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000850406908 1277216620 /nfs/dbraw/zinc/21/66/20/1277216620.db2.gz YRISBHZRDIQSHV-IEBWSBKVSA-N 2 0 329.488 2.364 20 10 EECDRP COc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(O)cc1O ZINC001231640189 1303876609 /nfs/dbraw/zinc/87/66/09/1303876609.db2.gz QKUNWHAHURPDHB-UHFFFAOYSA-N 2 0 329.400 2.132 20 10 EECDRP C[NH+](C)CCN1CC[N@H+](Cc2ccc3ccccc3c2O)CCC1=O ZINC001231881259 1303937318 /nfs/dbraw/zinc/93/73/18/1303937318.db2.gz UKJMPBDWGATEEA-UHFFFAOYSA-N 2 0 341.455 2.141 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169155 1305136517 /nfs/dbraw/zinc/13/65/17/1305136517.db2.gz WEPANPZEILCBSM-FQEVSTJZSA-N 2 0 328.504 2.204 20 10 EECDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236218873 1305537824 /nfs/dbraw/zinc/53/78/24/1305537824.db2.gz SYZQUSNLJYPDKX-OALUTQOASA-N 2 0 334.483 2.279 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1O ZINC001236931468 1305734252 /nfs/dbraw/zinc/73/42/52/1305734252.db2.gz KRWVMQWWWLQOJY-DNVCBOLYSA-N 2 0 335.467 2.170 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])[NH+](C)C)cc1 ZINC001122328585 1310261146 /nfs/dbraw/zinc/26/11/46/1310261146.db2.gz PWWUZZCFZBXXQV-CMKODMSKSA-N 2 0 346.519 2.379 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246526634 1310331961 /nfs/dbraw/zinc/33/19/61/1310331961.db2.gz RDXZFCGEIGCZNZ-KSSFIOAISA-N 2 0 329.488 2.316 20 10 EECDRP Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c(O)c1 ZINC000840829953 1315419057 /nfs/dbraw/zinc/41/90/57/1315419057.db2.gz AADADYAZFQJHKG-KRWDZBQOSA-N 2 0 347.503 2.148 20 10 EECDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001157431873 1318635774 /nfs/dbraw/zinc/63/57/74/1318635774.db2.gz AGFHHVDBPGFWSR-MAUKXSAKSA-N 2 0 347.503 2.466 20 10 EECDRP Oc1ccccc1C[NH+]1CCN(c2ccnc(N3CCCC3)n2)CC1 ZINC001203558629 1321912206 /nfs/dbraw/zinc/91/22/06/1321912206.db2.gz QVCRFPSQUQCMHR-UHFFFAOYSA-N 2 0 339.443 2.105 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206021699 1323371023 /nfs/dbraw/zinc/37/10/23/1323371023.db2.gz ATAORGPAMJQGMO-SJORKVTESA-N 3 0 348.510 2.384 20 10 EECDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1(C)C ZINC001325156040 1333840412 /nfs/dbraw/zinc/84/04/12/1333840412.db2.gz BTIBIKCMJREKBC-UHFFFAOYSA-N 2 0 330.520 2.402 20 10 EECDRP C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(F)ccc1O ZINC000273561310 464720222 /nfs/dbraw/zinc/72/02/22/464720222.db2.gz ICJMJSABPRZCFT-CZUORRHYSA-N 2 0 337.439 2.125 20 10 EECDRP CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000377629026 467101276 /nfs/dbraw/zinc/10/12/76/467101276.db2.gz PAAJMZCFFQBTGW-GOSISDBHSA-N 2 0 347.503 2.391 20 10 EECDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000775653243 577441883 /nfs/dbraw/zinc/44/18/83/577441883.db2.gz AZNFTHRMNIDMDU-LJQANCHMSA-N 3 0 330.520 2.212 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)cc1C ZINC000987531823 689809164 /nfs/dbraw/zinc/80/91/64/689809164.db2.gz OKJMHRIJIPLOKI-AEFFLSMTSA-N 2 0 345.487 2.178 20 10 EECDRP Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n(C)n1 ZINC000883291282 1202041759 /nfs/dbraw/zinc/04/17/59/1202041759.db2.gz YXIHUUZTHUWEDQ-INIZCTEOSA-N 2 0 327.476 2.331 20 10 EECDRP CC[C@]1(CO)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779217132 1209393870 /nfs/dbraw/zinc/39/38/70/1209393870.db2.gz MMBPKXWNRDUHMJ-FQEVSTJZSA-N 2 0 331.504 2.423 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1C ZINC001152145309 1283314279 /nfs/dbraw/zinc/31/42/79/1283314279.db2.gz AERYPSRQBSOVKU-HOTGVXAUSA-N 2 0 333.476 2.082 20 10 EECDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1([NH+](C)C)CCC1 ZINC000783744374 1304344848 /nfs/dbraw/zinc/34/48/48/1304344848.db2.gz SCLJNYCKZDZBNN-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236944069 1305740553 /nfs/dbraw/zinc/74/05/53/1305740553.db2.gz ZCJGEXRAMQRZBC-LJQANCHMSA-N 2 0 348.510 2.492 20 10 EECDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(N3CC[NH+](C)CC3)cc1F)CC2 ZINC001236943862 1305741275 /nfs/dbraw/zinc/74/12/75/1305741275.db2.gz WXNWAWSYMOZDKU-UHFFFAOYSA-N 3 0 346.494 2.105 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@]1(C)O ZINC001139409108 1314740525 /nfs/dbraw/zinc/74/05/25/1314740525.db2.gz WRRVXWIBSCWVSO-PXNSSMCTSA-N 2 0 331.504 2.421 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(C[C@H]4CCO)CC3)cc2)CC1 ZINC001139409019 1314741085 /nfs/dbraw/zinc/74/10/85/1314741085.db2.gz RWFASIDXKVIVTF-LJQANCHMSA-N 2 0 343.515 2.423 20 10 EECDRP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)ccc(C)c3O)CC[C@@H]2C1 ZINC001140180913 1314828640 /nfs/dbraw/zinc/82/86/40/1314828640.db2.gz OGDUSOGMKYUUTM-IEBWSBKVSA-N 2 0 348.487 2.178 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cc2)CC1 ZINC000841081396 1315470300 /nfs/dbraw/zinc/47/03/00/1315470300.db2.gz AHRMGDSOULZFDN-IYARVYRRSA-N 3 0 330.520 2.293 20 10 EECDRP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCN(C)C1 ZINC000843421377 1315911843 /nfs/dbraw/zinc/91/18/43/1315911843.db2.gz CRMBMNLTKMHRDC-FQEVSTJZSA-N 2 0 330.520 2.355 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3C[C@H]4CC(=O)C[C@@H]4C3)cc2)CC1 ZINC001254932766 1318228065 /nfs/dbraw/zinc/22/80/65/1318228065.db2.gz ZIIKJIMRDXBWEX-IRXDYDNUSA-N 2 0 327.472 2.286 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428437 1334647905 /nfs/dbraw/zinc/64/79/05/1334647905.db2.gz RDYAAYKDENZYCT-JENIJYKNSA-N 2 0 346.494 2.137 20 10 EECDRP C[NH+]1CCN(c2ccc(CNc3ccc4c(n3)C[NH2+]CC4)cc2)CC1 ZINC001167426198 758351132 /nfs/dbraw/zinc/35/11/32/758351132.db2.gz BCGIXMSTOFOBKD-UHFFFAOYSA-N 2 0 337.471 2.091 20 10 EECDRP CSc1nc(C2C[NH2+]C2)cc(N2C[C@H](CC[NH3+])c3ccccc32)n1 ZINC001168546205 789142069 /nfs/dbraw/zinc/14/20/69/789142069.db2.gz UGURXRIAYROWPL-LBPRGKRZSA-N 2 0 341.484 2.469 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000843126112 794647971 /nfs/dbraw/zinc/64/79/71/794647971.db2.gz GPWWIEYGFMACDX-FQEVSTJZSA-N 3 0 342.531 2.260 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC001130713526 811962869 /nfs/dbraw/zinc/96/28/69/811962869.db2.gz RKBKKOSUWKIDJK-SFHVURJKSA-N 2 0 347.503 2.330 20 10 EECDRP COc1ccc(O)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000180508514 464326443 /nfs/dbraw/zinc/32/64/43/464326443.db2.gz ZIMOFRWAFBQLHS-UHFFFAOYSA-N 2 0 334.460 2.478 20 10 EECDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)CC1 ZINC000293093250 464386376 /nfs/dbraw/zinc/38/63/76/464386376.db2.gz NIQIFTNABJNFCY-LJQANCHMSA-N 2 0 330.520 2.273 20 10 EECDRP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)c1 ZINC000770353270 577594382 /nfs/dbraw/zinc/59/43/82/577594382.db2.gz ZDEJSIPKJCYZDC-HHXXYDBFSA-N 2 0 334.460 2.474 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1O ZINC000895192864 684273305 /nfs/dbraw/zinc/27/33/05/684273305.db2.gz OTNONJBXPWZYOO-QGZVFWFLSA-N 2 0 334.460 2.396 20 10 EECDRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877653538 1200008154 /nfs/dbraw/zinc/00/81/54/1200008154.db2.gz MRMDNMRZSQUXHV-GOSISDBHSA-N 2 0 331.504 2.469 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)CC1 ZINC000883290286 1202041117 /nfs/dbraw/zinc/04/11/17/1202041117.db2.gz QIYLATNAAGRFPF-LJQANCHMSA-N 2 0 329.488 2.487 20 10 EECDRP Oc1ccc(F)cc1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275913461 1205583093 /nfs/dbraw/zinc/58/30/93/1205583093.db2.gz NCYFXHMRGWYRAB-UHFFFAOYSA-N 2 0 344.434 2.326 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC001020172274 1229529803 /nfs/dbraw/zinc/52/98/03/1229529803.db2.gz VFBOGRRJWQFDFL-VDHUWJSZSA-N 2 0 345.487 2.081 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(F)(C[NH3+])CC3)cc2)CC1 ZINC001222539343 1299668486 /nfs/dbraw/zinc/66/84/86/1299668486.db2.gz XWMAJFXUFYAEEA-UHFFFAOYSA-N 3 0 334.483 2.091 20 10 EECDRP Oc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)cc1Br ZINC001236320614 1305560607 /nfs/dbraw/zinc/56/06/07/1305560607.db2.gz JXCVHAFEMBLDFT-PHIMTYICSA-N 2 0 341.249 2.292 20 10 EECDRP CC(C)c1ccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(O)c1 ZINC001237049330 1305778722 /nfs/dbraw/zinc/77/87/22/1305778722.db2.gz NFZCVDFTFVELJK-UHFFFAOYSA-N 2 0 333.476 2.112 20 10 EECDRP Cc1ccc(C)n1-c1ccc(-c2noc(C34C[NH2+]CC3C[NH2+]C4)n2)cc1 ZINC001247850173 1310747080 /nfs/dbraw/zinc/74/70/80/1310747080.db2.gz IIERPKGIRFQSMZ-UHFFFAOYSA-N 2 0 349.438 2.205 20 10 EECDRP COc1ccc(N2CC[NH+](CCCNc3cccc(N)[nH+]3)CC2)cc1 ZINC001156257193 1317939671 /nfs/dbraw/zinc/93/96/71/1317939671.db2.gz PZNPXMUSUFUGKT-UHFFFAOYSA-N 2 0 341.459 2.297 20 10 EECDRP Oc1ccc(C[N@@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001204274916 1322101069 /nfs/dbraw/zinc/10/10/69/1322101069.db2.gz VOBBJPXSULYFJL-AEFFLSMTSA-N 2 0 339.439 2.447 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[S@@](=O)C(C)(C)C)cc2)CC1 ZINC001308277182 1331581261 /nfs/dbraw/zinc/58/12/61/1331581261.db2.gz IMAZQCYBMCJJHB-HSZRJFAPSA-N 2 0 337.533 2.075 20 10 EECDRP COc1cc(C)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(O)c1 ZINC001308605377 1331600091 /nfs/dbraw/zinc/60/00/91/1331600091.db2.gz NMZBCDFRQBSRNG-UHFFFAOYSA-N 2 0 334.460 2.253 20 10 EECDRP COC(=O)CC(C)(C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001323453355 1333466819 /nfs/dbraw/zinc/46/68/19/1333466819.db2.gz UGQGGOBSNDXUIZ-UHFFFAOYSA-N 2 0 333.476 2.212 20 10 EECDRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278316752 463961403 /nfs/dbraw/zinc/96/14/03/463961403.db2.gz XLZUKXIWDQBHSL-ZDUSSCGKSA-N 2 0 337.420 2.473 20 10 EECDRP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)c1 ZINC000770353276 577594519 /nfs/dbraw/zinc/59/45/19/577594519.db2.gz ZDEJSIPKJCYZDC-SZVBFZGTSA-N 2 0 334.460 2.474 20 10 EECDRP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000763613968 577723382 /nfs/dbraw/zinc/72/33/82/577723382.db2.gz KWQINJRNBARHKJ-IBGZPJMESA-N 3 0 330.520 2.355 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000754740189 577811798 /nfs/dbraw/zinc/81/17/98/577811798.db2.gz KJQRRPIUCDEIFX-GVDBMIGSSA-N 2 0 334.460 2.393 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C)cc1C ZINC000987531824 689809359 /nfs/dbraw/zinc/80/93/59/689809359.db2.gz OKJMHRIJIPLOKI-FUHWJXTLSA-N 2 0 345.487 2.178 20 10 EECDRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000794806302 1198049948 /nfs/dbraw/zinc/04/99/48/1198049948.db2.gz HCDOEKCECKOWNW-WBVHZDCISA-N 2 0 333.476 2.329 20 10 EECDRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877653539 1200008440 /nfs/dbraw/zinc/00/84/40/1200008440.db2.gz MRMDNMRZSQUXHV-SFHVURJKSA-N 2 0 331.504 2.469 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C(C)(C)CO)cc2)CC1 ZINC000811518604 1200105294 /nfs/dbraw/zinc/10/52/94/1200105294.db2.gz MJMYAUYVSZINJV-IBGZPJMESA-N 2 0 331.504 2.325 20 10 EECDRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cc(F)cc(F)c2O)CC1 ZINC000883075418 1202007563 /nfs/dbraw/zinc/00/75/63/1202007563.db2.gz BCPFDIKUNIBETQ-UHFFFAOYSA-N 2 0 334.370 2.429 20 10 EECDRP Cc1cccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c1O ZINC001273771017 1285322224 /nfs/dbraw/zinc/32/22/24/1285322224.db2.gz ZFNDLHXTLKZHDV-UHFFFAOYSA-N 2 0 345.487 2.077 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3cc(C)ccc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222130650 1299375427 /nfs/dbraw/zinc/37/54/27/1299375427.db2.gz IFAKOWZDVXFASC-LPHOPBHVSA-N 2 0 332.444 2.065 20 10 EECDRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943044 1305741654 /nfs/dbraw/zinc/74/16/54/1305741654.db2.gz PEXWQGFUXDWQOB-FQEVSTJZSA-N 2 0 346.494 2.105 20 10 EECDRP COc1cc(Cl)cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1O ZINC000843125399 1315849536 /nfs/dbraw/zinc/84/95/36/1315849536.db2.gz VLKVTRPCRQJTDI-PBHICJAKSA-N 2 0 340.851 2.382 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1C ZINC001152145311 1316637991 /nfs/dbraw/zinc/63/79/91/1316637991.db2.gz AERYPSRQBSOVKU-IYBDPMFKSA-N 2 0 333.476 2.082 20 10 EECDRP CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001254083356 1317998364 /nfs/dbraw/zinc/99/83/64/1317998364.db2.gz VYMORSZOJJOLMD-WOJBJXKFSA-N 2 0 330.520 2.401 20 10 EECDRP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210811136 1325445310 /nfs/dbraw/zinc/44/53/10/1325445310.db2.gz JTGVUTPVFAQITO-SFHVURJKSA-N 2 0 347.503 2.426 20 10 EECDRP C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC001325321794 1333863446 /nfs/dbraw/zinc/86/34/46/1333863446.db2.gz ZSHNLKQWJBIVLT-RDJZCZTQSA-N 2 0 334.483 2.055 20 10 EECDRP COc1ccc(N2CC[C@@H]([NH2+]Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001579225508 1344354480 /nfs/dbraw/zinc/35/44/80/1344354480.db2.gz OAHIYEXZDYTJAH-CYBMUJFWSA-N 2 0 344.484 2.166 20 10 EECDRP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001755236119 1407244800 /nfs/dbraw/zinc/24/48/00/1407244800.db2.gz DNYUCVQXIQPBCC-JKSUJKDBSA-N 2 0 347.503 2.471 20 10 EECDRP COc1cc(Br)cc(CN2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843056933 790914589 /nfs/dbraw/zinc/91/45/89/790914589.db2.gz CPQFQCZODWQXTA-VHSXEESVSA-N 2 0 329.238 2.332 20 10 EECDRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1C ZINC001135370769 783659568 /nfs/dbraw/zinc/65/95/68/783659568.db2.gz AOBQLUXCPGGWQW-JKSUJKDBSA-N 2 0 335.492 2.328 20 10 EECDRP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1O ZINC000817973252 785124376 /nfs/dbraw/zinc/12/43/76/785124376.db2.gz RTDKTKGVOXMWID-UKRRQHHQSA-N 2 0 331.382 2.269 20 10 EECDRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220565 788911457 /nfs/dbraw/zinc/91/14/57/788911457.db2.gz ICSQTJRONYGNEL-SFHVURJKSA-N 2 0 334.508 2.016 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC001147834514 791991860 /nfs/dbraw/zinc/99/18/60/791991860.db2.gz LAUCDDCXEDMDJN-QZTJIDSGSA-N 2 0 347.503 2.330 20 10 EECDRP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179861145 800148272 /nfs/dbraw/zinc/14/82/72/800148272.db2.gz NENZYIBAKBQPKB-WMZOPIPTSA-N 2 0 347.503 2.424 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CO)CCCCC3)cc2)CC1 ZINC000771844438 577233852 /nfs/dbraw/zinc/23/38/52/577233852.db2.gz VEFMDCXIPFLBDL-UHFFFAOYSA-N 2 0 331.504 2.471 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3COC4(CCCC4)O3)cc2)CC1 ZINC000773414006 577340678 /nfs/dbraw/zinc/34/06/78/577340678.db2.gz IUCGUDUUVZAHPG-LJQANCHMSA-N 2 0 345.487 2.214 20 10 EECDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850565835 1277268405 /nfs/dbraw/zinc/26/84/05/1277268405.db2.gz IDYUBUSBAKBMQG-OXQOHEQNSA-N 2 0 331.504 2.468 20 10 EECDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236218876 1305536910 /nfs/dbraw/zinc/53/69/10/1305536910.db2.gz SYZQUSNLJYPDKX-RBUKOAKNSA-N 2 0 334.483 2.279 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H](c3nc(C)no3)C2)cc(C[NH+](C)C)c1O ZINC001139258936 1314722911 /nfs/dbraw/zinc/72/29/11/1314722911.db2.gz BKCQZRILJLPDCK-AWEZNQCLSA-N 2 0 346.431 2.143 20 10 EECDRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749367 1314954999 /nfs/dbraw/zinc/95/49/99/1314954999.db2.gz XDMPLTVECMFMIA-UHFFFAOYSA-N 2 0 335.492 2.256 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cc2)CC1 ZINC000841090037 1315472434 /nfs/dbraw/zinc/47/24/34/1315472434.db2.gz TZTPULYWHJPEKS-GOSISDBHSA-N 3 0 328.504 2.203 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001152347413 1316659451 /nfs/dbraw/zinc/65/94/51/1316659451.db2.gz FIKRLVWFCAEOBF-UHFFFAOYSA-N 2 0 333.476 2.085 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C[N@@H+]2CCC[C@H]2C)cc1C ZINC001166627450 1321753885 /nfs/dbraw/zinc/75/38/85/1321753885.db2.gz VXFRLODGIWFWLP-MRXNPFEDSA-N 2 0 333.476 2.084 20 10 EECDRP CN1CCN(c2ccc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)cc2F)CC1 ZINC001261370488 1322082717 /nfs/dbraw/zinc/08/27/17/1322082717.db2.gz LBMBTMSQZJZXCT-IBGZPJMESA-N 2 0 334.483 2.057 20 10 EECDRP COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000848718628 1338746719 /nfs/dbraw/zinc/74/67/19/1338746719.db2.gz OORYTQUYAFTYRH-MSOLQXFVSA-N 2 0 346.519 2.067 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C34CCCC4)cc2)CC1 ZINC000816630350 784140631 /nfs/dbraw/zinc/14/06/31/784140631.db2.gz BHGBEPJDFTZLPU-IBGZPJMESA-N 2 0 329.488 2.318 20 10 EECDRP COc1ccc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1C ZINC000997303863 789612950 /nfs/dbraw/zinc/61/29/50/789612950.db2.gz WFXFRDVPKHPVMF-UHFFFAOYSA-N 2 0 345.487 2.180 20 10 EECDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846144340 790073823 /nfs/dbraw/zinc/07/38/23/790073823.db2.gz IVGZHQLPVLFMBX-HOTGVXAUSA-N 2 0 335.492 2.325 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000843126114 794647637 /nfs/dbraw/zinc/64/76/37/794647637.db2.gz GPWWIEYGFMACDX-HXUWFJFHSA-N 3 0 342.531 2.260 20 10 EECDRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921861592 797698923 /nfs/dbraw/zinc/69/89/23/797698923.db2.gz XQFXLWKSAOMPRT-RTBURBONSA-N 2 0 330.472 2.479 20 10 EECDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001169091614 803618739 /nfs/dbraw/zinc/61/87/39/803618739.db2.gz SZQVKVYYKUGUAL-VJDPLVQDSA-N 3 0 328.504 2.153 20 10 EECDRP COc1cc(Cl)cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1O ZINC000282169397 464720946 /nfs/dbraw/zinc/72/09/46/464720946.db2.gz DZHJZUXOXRBUOE-UHFFFAOYSA-N 2 0 341.883 2.170 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(C)cnn3C)cc2F)CC1 ZINC000286742374 465019271 /nfs/dbraw/zinc/01/92/71/465019271.db2.gz YIFFBIBCEGMKLG-UHFFFAOYSA-N 2 0 345.466 2.299 20 10 EECDRP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834870 467149070 /nfs/dbraw/zinc/14/90/70/467149070.db2.gz OVOUKNVQWIOEQG-QUCCMNQESA-N 2 0 329.488 2.439 20 10 EECDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113335763 529147040 /nfs/dbraw/zinc/14/70/40/529147040.db2.gz LVPBEVLPPWFPSS-AWEZNQCLSA-N 2 0 325.884 2.409 20 10 EECDRP CC[NH+](CC)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775648018 577441765 /nfs/dbraw/zinc/44/17/65/577441765.db2.gz MOUDSFICPGZKGL-FQEVSTJZSA-N 2 0 330.520 2.355 20 10 EECDRP COC(=O)CC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000777441729 577479001 /nfs/dbraw/zinc/47/90/01/577479001.db2.gz WBYRXNJQBDRSEU-UHFFFAOYSA-N 2 0 331.460 2.014 20 10 EECDRP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876989105 1199837422 /nfs/dbraw/zinc/83/74/22/1199837422.db2.gz UYCJIBRTMWIHJQ-GOSISDBHSA-N 2 0 331.504 2.469 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc4ccccn34)cc2)CC1 ZINC000883283585 1202040472 /nfs/dbraw/zinc/04/04/72/1202040472.db2.gz KSCNQDCCWSNXBA-UHFFFAOYSA-N 2 0 335.455 2.376 20 10 EECDRP Cc1cccc(O)c1C[N@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274303753 1204991468 /nfs/dbraw/zinc/99/14/68/1204991468.db2.gz MFNXGLNXIKUNTH-HXUWFJFHSA-N 2 0 345.487 2.219 20 10 EECDRP CN(C)C(=O)C[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001275267006 1205294302 /nfs/dbraw/zinc/29/43/02/1205294302.db2.gz IBLRPYDQJRCZIE-UHFFFAOYSA-N 2 0 345.487 2.158 20 10 EECDRP Cc1c(O)ccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c1O ZINC001276118136 1205782238 /nfs/dbraw/zinc/78/22/38/1205782238.db2.gz PCRXYHPLCIURGM-UXHICEINSA-N 2 0 347.503 2.492 20 10 EECDRP C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000863647340 1296363753 /nfs/dbraw/zinc/36/37/53/1296363753.db2.gz IPVLBPYWOKZVCL-UHFFFAOYSA-N 2 0 331.254 2.131 20 10 EECDRP CC(C)C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[NH2+]1 ZINC001235881957 1305437778 /nfs/dbraw/zinc/43/77/78/1305437778.db2.gz LYEPVMPRHSBFHB-SFHVURJKSA-N 2 0 348.510 2.397 20 10 EECDRP [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001236073173 1305492253 /nfs/dbraw/zinc/49/22/53/1305492253.db2.gz LPIPGALHVREXKY-HXUWFJFHSA-N 2 0 328.504 2.284 20 10 EECDRP COCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236929286 1305733054 /nfs/dbraw/zinc/73/30/54/1305733054.db2.gz DJRJILXISATUDJ-UHFFFAOYSA-N 2 0 335.467 2.436 20 10 EECDRP Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3C[NH2+]CC34C[NH2+]C4)n2)cc1 ZINC001247830861 1310736085 /nfs/dbraw/zinc/73/60/85/1310736085.db2.gz PULKYHGFQXCLBR-QGZVFWFLSA-N 2 0 349.438 2.421 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256109 1314721865 /nfs/dbraw/zinc/72/18/65/1314721865.db2.gz UCWPKCIWVKXMEA-QAPCUYQASA-N 2 0 334.460 2.463 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)CC1 ZINC001140302321 1314860682 /nfs/dbraw/zinc/86/06/82/1314860682.db2.gz NTLOAZGZVMVQGN-UHFFFAOYSA-N 2 0 345.487 2.167 20 10 EECDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141075905 1315036783 /nfs/dbraw/zinc/03/67/83/1315036783.db2.gz FUMQRKJKAVZUOO-UHFFFAOYSA-N 2 0 344.547 2.311 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124798 1315848643 /nfs/dbraw/zinc/84/86/43/1315848643.db2.gz GUKUPZZCFQMJPS-WOJBJXKFSA-N 3 0 342.531 2.260 20 10 EECDRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)c(O)cc1Br ZINC001205052799 1322272686 /nfs/dbraw/zinc/27/26/86/1322272686.db2.gz FGALUIXOCSGZAE-UHFFFAOYSA-N 2 0 329.238 2.334 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3C[C@@H](C)CC[C@H]3C[NH3+])cc2)CC1 ZINC001205832030 1323313660 /nfs/dbraw/zinc/31/36/60/1323313660.db2.gz YZBJRFCNNCBBNQ-PXNSSMCTSA-N 3 0 330.520 2.388 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556000 1323531880 /nfs/dbraw/zinc/53/18/80/1323531880.db2.gz MDBJWUFEYZNEFN-FQEVSTJZSA-N 3 0 330.520 2.389 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3cn4ccccc4n3)cc2)CC1 ZINC001308193286 1331571501 /nfs/dbraw/zinc/57/15/01/1331571501.db2.gz RXZKSUNYBJNUPA-UHFFFAOYSA-N 2 0 349.482 2.418 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)C23CCC[NH+]2CCC3)[NH+](C)C)cc1 ZINC001336624823 1336572337 /nfs/dbraw/zinc/57/23/37/1336572337.db2.gz QHIAQQKEBNMNEW-GOSISDBHSA-N 2 0 344.503 2.100 20 10 EECDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203215032 780943244 /nfs/dbraw/zinc/94/32/44/780943244.db2.gz QOWVOACNIIKZQD-UHFFFAOYSA-N 2 0 347.503 2.426 20 10 EECDRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935375 785079383 /nfs/dbraw/zinc/07/93/83/785079383.db2.gz NNZZDTRMYWQHOZ-XJKSGUPXSA-N 2 0 325.403 2.018 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])C2CCCCCC2)cc1 ZINC000911667737 787612062 /nfs/dbraw/zinc/61/20/62/787612062.db2.gz ROWDQUCWXHEHBL-MOPGFXCFSA-N 2 0 346.519 2.414 20 10 EECDRP C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1CC[NH3+] ZINC000844902038 789444200 /nfs/dbraw/zinc/44/42/00/789444200.db2.gz NCIMFLJXWUIXKL-XLIONFOSSA-N 3 0 330.520 2.388 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1C ZINC001130190018 811284126 /nfs/dbraw/zinc/28/41/26/811284126.db2.gz VHVMQSNBQUHKSB-QZTJIDSGSA-N 2 0 345.487 2.226 20 10 EECDRP C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000155300772 462872446 /nfs/dbraw/zinc/87/24/46/462872446.db2.gz CRMNODJEGLYONZ-VQIMIIECSA-N 2 0 346.519 2.346 20 10 EECDRP COc1cccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1O ZINC000288559738 464050372 /nfs/dbraw/zinc/05/03/72/464050372.db2.gz MEUIYJCGKDTZHK-UHFFFAOYSA-N 2 0 345.443 2.416 20 10 EECDRP CC(C)C[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775646630 577441719 /nfs/dbraw/zinc/44/17/19/577441719.db2.gz LIIOJDJFFCJOBV-UHFFFAOYSA-N 2 0 330.520 2.212 20 10 EECDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891243760 676235156 /nfs/dbraw/zinc/23/51/56/676235156.db2.gz UVSMYBYHYAWZPB-RTBURBONSA-N 2 0 346.519 2.344 20 10 EECDRP C[NH+]1CCC(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000894843970 683182974 /nfs/dbraw/zinc/18/29/74/683182974.db2.gz SBYHKKITOUDNLN-UHFFFAOYSA-N 2 0 339.430 2.233 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2F)CC1 ZINC000892906593 683186021 /nfs/dbraw/zinc/18/60/21/683186021.db2.gz UJNIKOATKTUNPI-UHFFFAOYSA-N 3 0 348.510 2.399 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)nn3)cc2)CC1 ZINC000895608129 684661606 /nfs/dbraw/zinc/66/16/06/684661606.db2.gz XYNXBLQUCIZAAT-UHFFFAOYSA-N 2 0 331.851 2.172 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000840928717 694439702 /nfs/dbraw/zinc/43/97/02/694439702.db2.gz GOLVJVXOEUYKGT-HXUWFJFHSA-N 2 0 332.536 2.423 20 10 EECDRP COc1ccc(O)c(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702560783 1196014904 /nfs/dbraw/zinc/01/49/04/1196014904.db2.gz FCYWXMZSAZZTCF-FQEVSTJZSA-N 2 0 342.439 2.127 20 10 EECDRP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877546874 1199962406 /nfs/dbraw/zinc/96/24/06/1199962406.db2.gz XRXGFTPMKONCIY-FQEVSTJZSA-N 2 0 329.488 2.175 20 10 EECDRP COc1ccc(N2CC[NH+](CCNc3cc[nH+]cc3C)CC2)cc1 ZINC000795081101 1200107113 /nfs/dbraw/zinc/10/71/13/1200107113.db2.gz QUUAVZVLMLGPOH-UHFFFAOYSA-N 2 0 326.444 2.055 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000883290806 1202041306 /nfs/dbraw/zinc/04/13/06/1202041306.db2.gz IFGWHMQPUCSLGC-UFYCRDLUSA-N 2 0 341.499 2.486 20 10 EECDRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n(C)n1 ZINC000883291283 1202041643 /nfs/dbraw/zinc/04/16/43/1202041643.db2.gz YXIHUUZTHUWEDQ-MRXNPFEDSA-N 2 0 327.476 2.331 20 10 EECDRP CC[N@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100831290 1259315119 /nfs/dbraw/zinc/31/51/19/1259315119.db2.gz PNORDGOVDNNRBW-UHFFFAOYSA-N 2 0 347.503 2.330 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2)CC1 ZINC001222265468 1299445416 /nfs/dbraw/zinc/44/54/16/1299445416.db2.gz UCMJGEKYNOVHGH-NRFANRHFSA-N 2 0 342.531 2.404 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1O ZINC001236931474 1305734004 /nfs/dbraw/zinc/73/40/04/1305734004.db2.gz KRWVMQWWWLQOJY-HNAYVOBHSA-N 2 0 335.467 2.170 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@](C)(CO)CC2)cc(C[NH+](C)C)c1O ZINC001139254368 1314722187 /nfs/dbraw/zinc/72/21/87/1314722187.db2.gz IMODKHUBHBURRH-IBGZPJMESA-N 2 0 336.476 2.447 20 10 EECDRP COc1cc(C[N@@H+]2CCc3c(cc[nH]c3=O)C2)cc(C[NH+](C)C)c1O ZINC001139259368 1314722811 /nfs/dbraw/zinc/72/28/11/1314722811.db2.gz SYEGRZJIFBTLLG-UHFFFAOYSA-N 2 0 343.427 2.121 20 10 EECDRP CCN(CC[NH+]1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409462 1314740975 /nfs/dbraw/zinc/74/09/75/1314740975.db2.gz LKUXSECMGWRWIF-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412809 1314741548 /nfs/dbraw/zinc/74/15/48/1314741548.db2.gz OFRJHMBXHSUZCT-SFHVURJKSA-N 2 0 345.487 2.214 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@@H](O)CC3)cc2)CC1 ZINC001140301965 1314860209 /nfs/dbraw/zinc/86/02/09/1314860209.db2.gz FZEYXCBFLOOYNX-PXNSSMCTSA-N 2 0 331.504 2.421 20 10 EECDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001205248701 1322329833 /nfs/dbraw/zinc/32/98/33/1322329833.db2.gz RNZVBPWOSDXRDV-HNNXBMFYSA-N 2 0 348.365 2.009 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205626249 1323220985 /nfs/dbraw/zinc/22/09/85/1323220985.db2.gz FBBNGPMPEODWAN-AEFFLSMTSA-N 2 0 331.504 2.455 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206003698 1323366720 /nfs/dbraw/zinc/36/67/20/1323366720.db2.gz LKMQFLVPYLWBAT-AEFFLSMTSA-N 2 0 331.504 2.455 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cc2)CC1 ZINC001206769075 1323586796 /nfs/dbraw/zinc/58/67/96/1323586796.db2.gz NGGRDCCOLQALNT-IEBWSBKVSA-N 3 0 330.520 2.388 20 10 EECDRP CC(C)[NH2+]CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001335535902 1336391563 /nfs/dbraw/zinc/39/15/63/1336391563.db2.gz BQVSYOCKWUTBTO-SFHVURJKSA-N 2 0 349.523 2.043 20 10 EECDRP COc1ccc(C[NH2+][C@H](C)CNC(=O)C23CCC[NH+]2CCC3)cc1C ZINC001752885420 1406516224 /nfs/dbraw/zinc/51/62/24/1406516224.db2.gz LHDAUBFZLRPSTE-MRXNPFEDSA-N 2 0 345.487 2.226 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)CCC2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC001523580991 1119813708 /nfs/dbraw/zinc/81/37/08/1119813708.db2.gz NDQLKSFVOOHQEO-IBGZPJMESA-N 2 0 346.519 2.251 20 10 EECDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435252 464582979 /nfs/dbraw/zinc/58/29/79/464582979.db2.gz NCUNLNFCWDHHLC-UYAOXDASSA-N 2 0 329.488 2.439 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000362688186 465942551 /nfs/dbraw/zinc/94/25/51/465942551.db2.gz SWXHOCPMGOVKFE-MJGOQNOKSA-N 2 0 331.504 2.467 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370698978 466970768 /nfs/dbraw/zinc/97/07/68/466970768.db2.gz KJTHNUBUADOSHB-APWZRJJASA-N 2 0 347.503 2.249 20 10 EECDRP COc1cc(C)cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1O ZINC000894241890 681462228 /nfs/dbraw/zinc/46/22/28/681462228.db2.gz ODEDIEBQBYENCD-UHFFFAOYSA-N 2 0 335.492 2.072 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)cc1C ZINC000985123140 685819871 /nfs/dbraw/zinc/81/98/71/685819871.db2.gz LJLKNDGPZOVEHD-IYARVYRRSA-N 2 0 345.487 2.084 20 10 EECDRP Cc1ccc(C)c(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c1O ZINC001273049340 1194352607 /nfs/dbraw/zinc/35/26/07/1194352607.db2.gz UNTVHPDSIGYGDA-FQEVSTJZSA-N 2 0 345.487 2.138 20 10 EECDRP Cc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(O)c1 ZINC000877004060 1199842065 /nfs/dbraw/zinc/84/20/65/1199842065.db2.gz GITWUFLHDSAIRK-UHFFFAOYSA-N 2 0 341.455 2.282 20 10 EECDRP Cc1ccc(C)c(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001275968792 1205608091 /nfs/dbraw/zinc/60/80/91/1205608091.db2.gz NAIXHMSCDNGVKS-UHFFFAOYSA-N 2 0 331.504 2.468 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1C ZINC001152145310 1283314366 /nfs/dbraw/zinc/31/43/66/1283314366.db2.gz AERYPSRQBSOVKU-HZPDHXFCSA-N 2 0 333.476 2.082 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCCC[C@@]34CC[NH2+]C4)c(F)c2)CC1 ZINC001235130066 1305124048 /nfs/dbraw/zinc/12/40/48/1305124048.db2.gz QSSXJHRTHRLALK-FQEVSTJZSA-N 2 0 346.494 2.296 20 10 EECDRP C[NH+](C)CCN1CC[N@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236833081 1305693074 /nfs/dbraw/zinc/69/30/74/1305693074.db2.gz OEEWCNDUOFPXPC-UHFFFAOYSA-N 2 0 341.455 2.141 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@](C)(CO)CC2)cc(C[NH+](C)C)c1O ZINC001139254369 1314721967 /nfs/dbraw/zinc/72/19/67/1314721967.db2.gz IMODKHUBHBURRH-LJQANCHMSA-N 2 0 336.476 2.447 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)cc2)CC1 ZINC001139408024 1314740309 /nfs/dbraw/zinc/74/03/09/1314740309.db2.gz IPPSDDPPAJUCEW-HXUWFJFHSA-N 2 0 329.488 2.441 20 10 EECDRP Cc1ncc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001139410815 1314740950 /nfs/dbraw/zinc/74/09/50/1314740950.db2.gz GEHIGWKBTHFJEL-UHFFFAOYSA-N 2 0 325.460 2.169 20 10 EECDRP COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139411425 1314741165 /nfs/dbraw/zinc/74/11/65/1314741165.db2.gz LECQGQIOSQJSAH-GOSISDBHSA-N 2 0 345.487 2.214 20 10 EECDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000841108098 1315477723 /nfs/dbraw/zinc/47/77/23/1315477723.db2.gz NRKIKSXHYNAQRQ-UHFFFAOYSA-N 2 0 342.439 2.257 20 10 EECDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000843341041 1315894105 /nfs/dbraw/zinc/89/41/05/1315894105.db2.gz BSQKQXDOMYAKFZ-VSZNYVQBSA-N 2 0 329.488 2.499 20 10 EECDRP C[NH2+]C[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205018765 1322265067 /nfs/dbraw/zinc/26/50/67/1322265067.db2.gz YZPSGBVMZCNWAY-INIZCTEOSA-N 2 0 334.483 2.009 20 10 EECDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326230791 1334048338 /nfs/dbraw/zinc/04/83/38/1334048338.db2.gz FVPNABQDCOIQBI-SFHVURJKSA-N 2 0 336.499 2.383 20 10 EECDRP COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850154235 1367129206 /nfs/dbraw/zinc/12/92/06/1367129206.db2.gz NPDQCZNBSHOHQM-UHFFFAOYSA-N 2 0 336.476 2.245 20 10 EECDRP CCN(CC)c1ccc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c(O)c1 ZINC001140856309 1372698730 /nfs/dbraw/zinc/69/87/30/1372698730.db2.gz XAWIMUDVMRGEPD-UHFFFAOYSA-N 2 0 348.535 2.308 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@@H]3C[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000817902829 785055198 /nfs/dbraw/zinc/05/51/98/785055198.db2.gz YYHWDIYTSDOBFM-CRAIPNDOSA-N 2 0 334.483 2.055 20 10 EECDRP C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1CC[NH3+] ZINC000844902036 789443075 /nfs/dbraw/zinc/44/30/75/789443075.db2.gz NCIMFLJXWUIXKL-PXNSSMCTSA-N 3 0 330.520 2.388 20 10 EECDRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000846156454 790066219 /nfs/dbraw/zinc/06/62/19/790066219.db2.gz LTEQOKIDCRDZRW-IAOVAPTHSA-N 2 0 334.460 2.429 20 10 EECDRP CCOc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1O ZINC000093132931 237043966 /nfs/dbraw/zinc/04/39/66/237043966.db2.gz LDWSZJJJKMMHSY-KRWDZBQOSA-N 2 0 333.476 2.003 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000093133278 237044166 /nfs/dbraw/zinc/04/41/66/237044166.db2.gz IFMQHGOSJLOGQM-QGZVFWFLSA-N 2 0 333.476 2.003 20 10 EECDRP CN(C)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000289447258 464079490 /nfs/dbraw/zinc/07/94/90/464079490.db2.gz MURLTOYVULQLHD-UHFFFAOYSA-N 2 0 330.520 2.212 20 10 EECDRP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775736648 577444281 /nfs/dbraw/zinc/44/42/81/577444281.db2.gz WAKBFJXADVRMBE-RTWAWAEBSA-N 2 0 342.531 2.497 20 10 EECDRP COc1cc(C)cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000894766636 683081456 /nfs/dbraw/zinc/08/14/56/683081456.db2.gz QWTJHFSYZJNMQM-UHFFFAOYSA-N 2 0 335.492 2.167 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001034885160 1196831039 /nfs/dbraw/zinc/83/10/39/1196831039.db2.gz PPCCDVIEUFFUDS-QZTJIDSGSA-N 2 0 345.487 2.178 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCn4ccnc43)cc2)CC1 ZINC000883291000 1202041613 /nfs/dbraw/zinc/04/16/13/1202041613.db2.gz PEKPHSNPXBWFBE-GOSISDBHSA-N 2 0 325.460 2.260 20 10 EECDRP CCc1ccc(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c(O)c1 ZINC001274653397 1205117109 /nfs/dbraw/zinc/11/71/09/1205117109.db2.gz JUZDEUZPBOZMOW-HXUWFJFHSA-N 2 0 345.487 2.083 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC4(CN(C)C4)C3)cc2)CC1 ZINC001275194451 1205278650 /nfs/dbraw/zinc/27/86/50/1205278650.db2.gz QWFALJUGVCXJIX-UHFFFAOYSA-N 2 0 342.531 2.356 20 10 EECDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N(C)C)cc3)C[C@H]2CC1 ZINC001275834059 1205557228 /nfs/dbraw/zinc/55/72/28/1205557228.db2.gz SHJRTHLGGUSZGF-BGYRXZFFSA-N 2 0 344.547 2.458 20 10 EECDRP Cc1cccc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001276079626 1205763277 /nfs/dbraw/zinc/76/32/77/1205763277.db2.gz BKYFINMRQIAWOY-HDICACEKSA-N 2 0 331.504 2.406 20 10 EECDRP C[C@@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CN1CC[NH+](C)CC1 ZINC000858125553 1294013954 /nfs/dbraw/zinc/01/39/54/1294013954.db2.gz GNSTWVLVTKBTGN-AWEZNQCLSA-N 2 0 340.462 2.004 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(C)cc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222130976 1299373884 /nfs/dbraw/zinc/37/38/84/1299373884.db2.gz MKQJMJUPKQTOTD-LPHOPBHVSA-N 2 0 332.444 2.065 20 10 EECDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC001276876180 1300041543 /nfs/dbraw/zinc/04/15/43/1300041543.db2.gz RLVIXOUKCJKJEM-UHFFFAOYSA-N 3 0 342.531 2.356 20 10 EECDRP CC[NH+]1CCN(c2ccc(OC3CC[NH+](CCOC)CC3)cc2)CC1 ZINC001234657754 1305002518 /nfs/dbraw/zinc/00/25/18/1305002518.db2.gz HLYVMXQXVCALNG-UHFFFAOYSA-N 2 0 347.503 2.318 20 10 EECDRP COC(=O)Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(O)c1 ZINC001235237966 1305160346 /nfs/dbraw/zinc/16/03/46/1305160346.db2.gz OCDFAFHWJJZJSF-GOSISDBHSA-N 2 0 346.471 2.462 20 10 EECDRP CCN(CC)c1ccc(C[NH+]2CCN(C3CC[NH2+]CC3)CC2)cc1 ZINC001235697881 1305339061 /nfs/dbraw/zinc/33/90/61/1305339061.db2.gz BZYRXKDSRNDYPY-UHFFFAOYSA-N 2 0 330.520 2.402 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CCN[C@@H](c3ccccc3)C1)C[NH2+]CCO2 ZINC001235857526 1305426703 /nfs/dbraw/zinc/42/67/03/1305426703.db2.gz VETVELYPHZLXNT-GOSISDBHSA-N 2 0 339.439 2.021 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])[NH+](C)C)cc1 ZINC001122328587 1310261423 /nfs/dbraw/zinc/26/14/23/1310261423.db2.gz PWWUZZCFZBXXQV-WSTZPKSXSA-N 2 0 346.519 2.379 20 10 EECDRP COc1cc(CN2CC([NH+]3CCCCC3)C2)cc(C[NH+](C)C)c1O ZINC001139258011 1314722697 /nfs/dbraw/zinc/72/26/97/1314722697.db2.gz JJQQBXQIQHQZER-UHFFFAOYSA-N 2 0 333.476 2.133 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CN(C)C)cc2)CC1 ZINC001140303862 1314861335 /nfs/dbraw/zinc/86/13/35/1314861335.db2.gz BZUIYVCQBFSYJC-FQEVSTJZSA-N 2 0 330.520 2.355 20 10 EECDRP [NH3+][C@H](CC(=O)N1CCC(C2CC[NH2+]CC2)CC1)c1ccccc1O ZINC001161208885 1315003253 /nfs/dbraw/zinc/00/32/53/1315003253.db2.gz YWBPXSOBPFLXIH-QGZVFWFLSA-N 2 0 331.460 2.020 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1O ZINC000841057689 1315464910 /nfs/dbraw/zinc/46/49/10/1315464910.db2.gz LRHNHKZORYSMGB-GFCCVEGCSA-N 2 0 329.238 2.395 20 10 EECDRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1N1CCOCC1 ZINC000843126653 1315850053 /nfs/dbraw/zinc/85/00/53/1315850053.db2.gz SDIZFHLODHCGAU-YESZJQIVSA-N 2 0 333.451 2.140 20 10 EECDRP CCCCOC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252535158 1317630713 /nfs/dbraw/zinc/63/07/13/1317630713.db2.gz OEFMNIAWGNPOIR-SFHVURJKSA-N 2 0 336.476 2.124 20 10 EECDRP COc1c(C2C[NH2+]C2)ncnc1N(CC[NH3+])c1cccc2ccccc21 ZINC001162005402 1320715857 /nfs/dbraw/zinc/71/58/57/1320715857.db2.gz JSPATOIWHXFKQT-UHFFFAOYSA-N 2 0 349.438 2.422 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001206002732 1323367390 /nfs/dbraw/zinc/36/73/90/1323367390.db2.gz AAIKOYWFQLQOQE-ZBFHGGJFSA-N 3 0 335.492 2.269 20 10 EECDRP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)cc1C ZINC001752885419 1406515336 /nfs/dbraw/zinc/51/53/36/1406515336.db2.gz LHDAUBFZLRPSTE-INIZCTEOSA-N 2 0 345.487 2.226 20 10 EECDRP C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC001578413448 1403749864 /nfs/dbraw/zinc/74/98/64/1403749864.db2.gz OLTILORXDAWMME-QGZVFWFLSA-N 2 0 335.451 2.465 20 10 EECDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817888816 785024308 /nfs/dbraw/zinc/02/43/08/785024308.db2.gz PBXKMEFHSTYOTN-JCGIZDLHSA-N 2 0 335.517 2.082 20 10 EECDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939742 785086806 /nfs/dbraw/zinc/08/68/06/785086806.db2.gz BJNBXUWCHHGAHO-RYGJVYDSSA-N 2 0 326.488 2.301 20 10 EECDRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000817976958 785125275 /nfs/dbraw/zinc/12/52/75/785125275.db2.gz XOTFQCVSWQLZCP-KDOFPFPSSA-N 2 0 333.451 2.455 20 10 EECDRP CC[NH+](CC)CC(=O)N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000180032608 464227488 /nfs/dbraw/zinc/22/74/88/464227488.db2.gz ASGMBSAWGPJXBS-UHFFFAOYSA-N 2 0 339.867 2.032 20 10 EECDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000771868298 577235299 /nfs/dbraw/zinc/23/52/99/577235299.db2.gz JWPJFWHPNXLYLC-HOTGVXAUSA-N 2 0 345.409 2.230 20 10 EECDRP Cc1cccc(O)c1C[N@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274303752 1204991618 /nfs/dbraw/zinc/99/16/18/1204991618.db2.gz MFNXGLNXIKUNTH-FQEVSTJZSA-N 2 0 345.487 2.219 20 10 EECDRP Cc1c(O)ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001276118113 1205782250 /nfs/dbraw/zinc/78/22/50/1205782250.db2.gz OADJPDHGCVYDSN-HXUWFJFHSA-N 2 0 347.503 2.256 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C(=O)CCC[C@@H]4C3)c(F)c2)CC1 ZINC001236949073 1305742578 /nfs/dbraw/zinc/74/25/78/1305742578.db2.gz ZLNSYTLCKLEOLY-QAPCUYQASA-N 2 0 345.462 2.379 20 10 EECDRP CCOc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001237046485 1305776482 /nfs/dbraw/zinc/77/64/82/1305776482.db2.gz CUOKKBREROYYGB-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[NH2+]C4=CCCC[C@H]43)c(F)c2)CC1 ZINC001237227831 1305857379 /nfs/dbraw/zinc/85/73/79/1305857379.db2.gz DOXYNPWUGGHQCX-HXUWFJFHSA-N 2 0 344.478 2.419 20 10 EECDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001152457724 1316674518 /nfs/dbraw/zinc/67/45/18/1316674518.db2.gz HNDLSOGMJGGNSB-QGZVFWFLSA-N 2 0 333.476 2.084 20 10 EECDRP CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001161135114 1320398032 /nfs/dbraw/zinc/39/80/32/1320398032.db2.gz SJILSUJGAJUTQF-SFHVURJKSA-N 2 0 334.508 2.160 20 10 EECDRP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C(C)C)CC2)cc1C ZINC001203924885 1321990758 /nfs/dbraw/zinc/99/07/58/1321990758.db2.gz GSQLAJZRYOMTAQ-UHFFFAOYSA-N 2 0 347.503 2.424 20 10 EECDRP [NH3+]CC1CC[NH+](Cc2ccc(I)cc2O)CC1 ZINC001205047447 1322272372 /nfs/dbraw/zinc/27/23/72/1322272372.db2.gz UEYCPGZJZLVLER-UHFFFAOYSA-N 2 0 346.212 2.168 20 10 EECDRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2CC1 ZINC001276635884 1324908768 /nfs/dbraw/zinc/90/87/68/1324908768.db2.gz XQWNHSQDMASGBL-KDURUIRLSA-N 2 0 329.488 2.297 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCO)CC3)cc2)CC1 ZINC000817419805 784770474 /nfs/dbraw/zinc/77/04/74/784770474.db2.gz YGSWDCZZVZKGET-GOSISDBHSA-N 2 0 331.504 2.423 20 10 EECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc21 ZINC000817900868 785054762 /nfs/dbraw/zinc/05/47/62/785054762.db2.gz PRUZBGJTXYOYHF-GBESFXJTSA-N 2 0 329.488 2.316 20 10 EECDRP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000824445480 788173711 /nfs/dbraw/zinc/17/37/11/788173711.db2.gz ASWBRRPJDIUKLR-GOSISDBHSA-N 2 0 342.531 2.355 20 10 EECDRP CCOc1cccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1O ZINC000289979599 464102688 /nfs/dbraw/zinc/10/26/88/464102688.db2.gz ZPSQDUKWUNHKOO-UHFFFAOYSA-N 2 0 337.508 2.496 20 10 EECDRP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1O ZINC000183453685 464866107 /nfs/dbraw/zinc/86/61/07/464866107.db2.gz FLRNTJMAPSAARR-OAHLLOKOSA-N 2 0 326.444 2.390 20 10 EECDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000771844287 577233876 /nfs/dbraw/zinc/23/38/76/577233876.db2.gz YBUVGTFIKRAGBG-YLJYHZDGSA-N 3 0 330.520 2.258 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(n4ccnc4)CC3)cc2)CC1 ZINC000775664821 577442167 /nfs/dbraw/zinc/44/21/67/577442167.db2.gz ASEMMDCZFBGDFR-UHFFFAOYSA-N 2 0 339.487 2.472 20 10 EECDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891243759 676235316 /nfs/dbraw/zinc/23/53/16/676235316.db2.gz UVSMYBYHYAWZPB-RBUKOAKNSA-N 2 0 346.519 2.344 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)[NH+](C)C)cc1 ZINC000891249658 676244579 /nfs/dbraw/zinc/24/45/79/676244579.db2.gz VIBUHIQCMKQSIQ-RTBURBONSA-N 2 0 344.503 2.098 20 10 EECDRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132738553 1199967269 /nfs/dbraw/zinc/96/72/69/1199967269.db2.gz ICMWAHZEDMPUOD-GOSISDBHSA-N 2 0 347.503 2.331 20 10 EECDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000883289280 1202041397 /nfs/dbraw/zinc/04/13/97/1202041397.db2.gz JUYDJCIWNBBTRS-LJQANCHMSA-N 2 0 327.476 2.413 20 10 EECDRP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3cc(C)ccc3O)C[C@H]2CC1 ZINC001275311832 1205305759 /nfs/dbraw/zinc/30/57/59/1205305759.db2.gz PVIWJWILIJKFOK-HDICACEKSA-N 2 0 348.487 2.465 20 10 EECDRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3cc(O)ccc3O)(C1)CCC2 ZINC001275418333 1205351203 /nfs/dbraw/zinc/35/12/03/1205351203.db2.gz ASNIANMFVWWXGM-RBUKOAKNSA-N 2 0 333.476 2.184 20 10 EECDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001276374060 1229459642 /nfs/dbraw/zinc/45/96/42/1229459642.db2.gz PXCJLWANZSLNHA-UHFFFAOYSA-N 2 0 325.456 2.225 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1C ZINC001135102849 1278140398 /nfs/dbraw/zinc/14/03/98/1278140398.db2.gz PBMIKYMGXNQEEG-ROUUACIJSA-N 2 0 345.487 2.226 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000854230815 1292681934 /nfs/dbraw/zinc/68/19/34/1292681934.db2.gz ZGRMZRMLNYWZFN-RCCFBDPRSA-N 2 0 329.488 2.125 20 10 EECDRP CN(C)c1cc(F)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1F ZINC000858196719 1294041884 /nfs/dbraw/zinc/04/18/84/1294041884.db2.gz XSZIXDJRMYPSIJ-UHFFFAOYSA-N 2 0 340.462 2.100 20 10 EECDRP CN(C)c1ccc(C[N@@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c2ccccc21 ZINC001222492479 1299630445 /nfs/dbraw/zinc/63/04/45/1299630445.db2.gz YDOASCUYKTZXOS-FPOVZHCZSA-N 2 0 338.499 2.432 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001234995015 1305077602 /nfs/dbraw/zinc/07/76/02/1305077602.db2.gz WHBGLTYMUFNJFH-OAQYLSRUSA-N 3 0 342.531 2.404 20 10 EECDRP CCCN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CC[NH2+]C1 ZINC001236323570 1305560697 /nfs/dbraw/zinc/56/06/97/1305560697.db2.gz GWFZODYSJFTPRC-SFHVURJKSA-N 2 0 334.483 2.151 20 10 EECDRP C[NH+](C)CCN(Cc1cc(F)c(Cl)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236933612 1305735251 /nfs/dbraw/zinc/73/52/51/1305735251.db2.gz VHDCSUYCTLNFNU-CYBMUJFWSA-N 2 0 329.847 2.300 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCO)C3)c(F)c2)CC1 ZINC001236938320 1305737637 /nfs/dbraw/zinc/73/76/37/1305737637.db2.gz LQZVWILHRPWVHM-MRXNPFEDSA-N 2 0 335.467 2.172 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@]1(C)O ZINC001139409110 1314740983 /nfs/dbraw/zinc/74/09/83/1314740983.db2.gz WRRVXWIBSCWVSO-YLJYHZDGSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC([NH+]4CCCC4)C3)cc2)CC1 ZINC001140304398 1314861861 /nfs/dbraw/zinc/86/18/61/1314861861.db2.gz NKYKARQGZNUXEJ-UHFFFAOYSA-N 2 0 328.504 2.109 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001160003495 1320046343 /nfs/dbraw/zinc/04/63/43/1320046343.db2.gz QXZCCWGHENDFRN-UHFFFAOYSA-N 2 0 333.476 2.084 20 10 EECDRP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)cc1O)C2 ZINC001204272969 1322099253 /nfs/dbraw/zinc/09/92/53/1322099253.db2.gz IEZJMFQMZPWSQN-PXNSSMCTSA-N 2 0 346.471 2.278 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@H]3C)cc2)CC1 ZINC001206769076 1323587009 /nfs/dbraw/zinc/58/70/09/1323587009.db2.gz NGGRDCCOLQALNT-MJGOQNOKSA-N 3 0 330.520 2.388 20 10 EECDRP CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210216874 1325202847 /nfs/dbraw/zinc/20/28/47/1325202847.db2.gz AULFRYMISHFQQZ-GOSISDBHSA-N 2 0 347.503 2.426 20 10 EECDRP CC(C)[NH2+]CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001335535901 1336391506 /nfs/dbraw/zinc/39/15/06/1336391506.db2.gz BQVSYOCKWUTBTO-GOSISDBHSA-N 2 0 349.523 2.043 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cc1C ZINC001131790026 783222447 /nfs/dbraw/zinc/22/24/47/783222447.db2.gz DGXWDFQGKPGWBD-LJQANCHMSA-N 2 0 345.487 2.084 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)Cc3ccccc3)cc2)CC1 ZINC000808420458 812635836 /nfs/dbraw/zinc/63/58/36/812635836.db2.gz FEVBYSIFJCTZAT-OAQYLSRUSA-N 2 0 339.483 2.132 20 10 EECDRP COCC[N@H+](C)CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000153757103 462688702 /nfs/dbraw/zinc/68/87/02/462688702.db2.gz CXRZKQCASUTDQT-UHFFFAOYSA-N 2 0 335.492 2.222 20 10 EECDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000151559937 463552714 /nfs/dbraw/zinc/55/27/14/463552714.db2.gz IPZVKBQDRSBWTK-QFBILLFUSA-N 2 0 331.504 2.468 20 10 EECDRP CCN(C)c1ccc(C[NH+]2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000773783786 577364404 /nfs/dbraw/zinc/36/44/04/577364404.db2.gz DXJIZKUFKHMGAX-IBGZPJMESA-N 2 0 344.503 2.057 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000775022111 577426723 /nfs/dbraw/zinc/42/67/23/577426723.db2.gz DHCKCVMCDMVEAI-UHFFFAOYSA-N 2 0 329.488 2.487 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)cc2)CC1 ZINC000858246311 1294059915 /nfs/dbraw/zinc/05/99/15/1294059915.db2.gz ZWUNEJCDNJPPCQ-LJQANCHMSA-N 3 0 330.520 2.260 20 10 EECDRP c1csc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001236117634 1305505568 /nfs/dbraw/zinc/50/55/68/1305505568.db2.gz ZERCUFYCQZMVTI-SFHVURJKSA-N 2 0 342.512 2.304 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@]1(C)O ZINC001236931376 1305733582 /nfs/dbraw/zinc/73/35/82/1305733582.db2.gz JZNQWVIBOMRUKN-HNAYVOBHSA-N 2 0 335.467 2.170 20 10 EECDRP C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236940401 1305738490 /nfs/dbraw/zinc/73/84/90/1305738490.db2.gz PVGCKXWLVISEPI-GOSISDBHSA-N 2 0 334.483 2.104 20 10 EECDRP CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001237040645 1305775196 /nfs/dbraw/zinc/77/51/96/1305775196.db2.gz KEVNASZSIMPSQN-ZWKOTPCHSA-N 2 0 333.476 2.001 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC[C@@H]4C[N@H+](C)C[C@@H]43)cc2)CC1 ZINC001140304657 1314862617 /nfs/dbraw/zinc/86/26/17/1314862617.db2.gz XPXNSGWTBJECOQ-CTNGQTDRSA-N 2 0 342.531 2.355 20 10 EECDRP COc1cc(Br)cc(C[N@H+](C)C2CC[NH2+]CC2)c1O ZINC000843044667 1315827234 /nfs/dbraw/zinc/82/72/34/1315827234.db2.gz DZDOWMPNYFYQKI-UHFFFAOYSA-N 2 0 329.238 2.347 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1C ZINC001160274204 1320119389 /nfs/dbraw/zinc/11/93/89/1320119389.db2.gz QNIZOAUNKJZLPE-SFHVURJKSA-N 2 0 347.503 2.474 20 10 EECDRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc(F)c(F)cc3O)c2)CC1 ZINC001308895952 1331607774 /nfs/dbraw/zinc/60/77/74/1331607774.db2.gz GCECOCWWHRUQNY-UHFFFAOYSA-N 2 0 334.370 2.429 20 10 EECDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963552 1349083171 /nfs/dbraw/zinc/08/31/71/1349083171.db2.gz LAZWDSKBKNBVPR-ZIAGYGMSSA-N 2 0 344.463 2.343 20 10 EECDRP C[NH+]1CCN(c2ccc(CNc3cnc4c(c3)C[NH2+]CC4)cc2)CC1 ZINC001167434937 759371932 /nfs/dbraw/zinc/37/19/32/759371932.db2.gz ZZEZKLJUYYEKSI-UHFFFAOYSA-N 2 0 337.471 2.091 20 10 EECDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)CC[NH2+]CC1 ZINC000817896377 785052708 /nfs/dbraw/zinc/05/27/08/785052708.db2.gz HSNOYFBTDJLYCI-OAHLLOKOSA-N 2 0 333.476 2.164 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001127077274 788482280 /nfs/dbraw/zinc/48/22/80/788482280.db2.gz AWWDLZSLIOORTQ-QGZVFWFLSA-N 2 0 333.476 2.082 20 10 EECDRP C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1CC[NH3+] ZINC000846226161 790093129 /nfs/dbraw/zinc/09/31/29/790093129.db2.gz JAWSYBLQIQSJFN-LPHOPBHVSA-N 2 0 346.519 2.160 20 10 EECDRP COc1cccc(O)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000808442443 812639993 /nfs/dbraw/zinc/63/99/93/812639993.db2.gz DFCYMYWQNDVFJB-UHFFFAOYSA-N 2 0 345.443 2.416 20 10 EECDRP COc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1O ZINC000363889557 466647012 /nfs/dbraw/zinc/64/70/12/466647012.db2.gz PIBFTRZQZGQBIA-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)Cn1cccn1 ZINC000771823446 577232753 /nfs/dbraw/zinc/23/27/53/577232753.db2.gz CIFDFSLWTXIKDZ-KRWDZBQOSA-N 2 0 327.476 2.061 20 10 EECDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000771844281 577233908 /nfs/dbraw/zinc/23/39/08/577233908.db2.gz YBUVGTFIKRAGBG-PXNSSMCTSA-N 3 0 330.520 2.258 20 10 EECDRP CCn1cc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000775699462 577443140 /nfs/dbraw/zinc/44/31/40/577443140.db2.gz DQUNLIOPLWYAJS-UHFFFAOYSA-N 2 0 327.476 2.287 20 10 EECDRP COC(=O)CCC(C)(C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000762784339 577707567 /nfs/dbraw/zinc/70/75/67/577707567.db2.gz CRIAPUJODSDKJQ-UHFFFAOYSA-N 2 0 333.476 2.260 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC001026733921 684925312 /nfs/dbraw/zinc/92/53/12/684925312.db2.gz JUTRKJHUSWNCGD-ROUUACIJSA-N 2 0 345.487 2.036 20 10 EECDRP CCOc1ccc(O)c(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000877747465 1200071492 /nfs/dbraw/zinc/07/14/92/1200071492.db2.gz MSXNVFNCCMXDFS-UHFFFAOYSA-N 2 0 333.476 2.003 20 10 EECDRP CN(C)c1ccc(C[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 ZINC000880254471 1201437184 /nfs/dbraw/zinc/43/71/84/1201437184.db2.gz YVSMVBHLAPZPSO-UHFFFAOYSA-N 2 0 344.503 2.058 20 10 EECDRP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c(O)c1 ZINC001274214199 1204466597 /nfs/dbraw/zinc/46/65/97/1204466597.db2.gz SEQLRYBAFADZHP-QZTJIDSGSA-N 2 0 345.487 2.136 20 10 EECDRP Cc1cccc(O)c1C[NH+]1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274303142 1204991069 /nfs/dbraw/zinc/99/10/69/1204991069.db2.gz FMGCZZQYPNEDGR-UHFFFAOYSA-N 2 0 345.487 2.077 20 10 EECDRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(O)cc1C ZINC000159854986 1208507992 /nfs/dbraw/zinc/50/79/92/1208507992.db2.gz MOUOTQUHYLXFCJ-UHFFFAOYSA-N 2 0 334.460 2.253 20 10 EECDRP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000902518404 1237777395 /nfs/dbraw/zinc/77/73/95/1237777395.db2.gz QKWSCHMYZVLIEV-XFKSJGNHSA-N 2 0 330.520 2.333 20 10 EECDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1O ZINC001233417784 1304462347 /nfs/dbraw/zinc/46/23/47/1304462347.db2.gz IEBWSOQNXYGOQW-UHFFFAOYSA-N 2 0 333.398 2.336 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001245421996 1310097453 /nfs/dbraw/zinc/09/74/53/1310097453.db2.gz AYWGKAKRTKPOGV-FQEVSTJZSA-N 2 0 327.472 2.364 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246526644 1310332207 /nfs/dbraw/zinc/33/22/07/1310332207.db2.gz RDXZFCGEIGCZNZ-RDTXWAMCSA-N 2 0 329.488 2.316 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC([NH+](C)C)CC3)cc2)CC1 ZINC001140300939 1314859066 /nfs/dbraw/zinc/85/90/66/1314859066.db2.gz WKUUARWRUUCPSH-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC[C@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC001140304659 1314862432 /nfs/dbraw/zinc/86/24/32/1314862432.db2.gz XPXNSGWTBJECOQ-PZJWPPBQSA-N 2 0 342.531 2.355 20 10 EECDRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161226305 1320426102 /nfs/dbraw/zinc/42/61/02/1320426102.db2.gz BWOYCMXJPWQVKD-UHFFFAOYSA-N 2 0 335.492 2.330 20 10 EECDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001276505355 1323823665 /nfs/dbraw/zinc/82/36/65/1323823665.db2.gz KEDWBWMICBZRIZ-GASCZTMLSA-N 2 0 343.393 2.231 20 10 EECDRP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC001331062281 1334955944 /nfs/dbraw/zinc/95/59/44/1334955944.db2.gz RAXKDLYKTLRJOP-ZDUSSCGKSA-N 2 0 327.384 2.227 20 10 EECDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963550 1349083328 /nfs/dbraw/zinc/08/33/28/1349083328.db2.gz LAZWDSKBKNBVPR-UONOGXRCSA-N 2 0 344.463 2.343 20 10 EECDRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1C ZINC001135370768 783658912 /nfs/dbraw/zinc/65/89/12/783658912.db2.gz AOBQLUXCPGGWQW-HZPDHXFCSA-N 2 0 335.492 2.328 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@@H](C)[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC000817902638 785055736 /nfs/dbraw/zinc/05/57/36/785055736.db2.gz VUMVPHPWUOEZBY-MAUKXSAKSA-N 2 0 334.483 2.198 20 10 EECDRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1O ZINC000817980738 785129110 /nfs/dbraw/zinc/12/91/10/785129110.db2.gz DFKSOXDSNXIVLW-AAEUAGOBSA-N 2 0 343.265 2.492 20 10 EECDRP COc1cccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000271204692 464289042 /nfs/dbraw/zinc/28/90/42/464289042.db2.gz JXMXSGLQMXXCJE-UHFFFAOYSA-N 2 0 347.503 2.391 20 10 EECDRP CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771844227 577233774 /nfs/dbraw/zinc/23/37/74/577233774.db2.gz RNFIPQKQCPHSJD-LJQANCHMSA-N 2 0 333.476 2.260 20 10 EECDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC000969985631 675365157 /nfs/dbraw/zinc/36/51/57/675365157.db2.gz KDFDTFODQMYDBT-SJORKVTESA-N 2 0 333.476 2.034 20 10 EECDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894238692 681425544 /nfs/dbraw/zinc/42/55/44/681425544.db2.gz VGRQSUAEIBZQSP-INIZCTEOSA-N 2 0 335.492 2.072 20 10 EECDRP Cc1cccc(C[NH+]2CCC(C(N)=O)(N3CCCCC3)CC2)c1O ZINC000895550875 684639504 /nfs/dbraw/zinc/63/95/04/684639504.db2.gz LKRHELTUQPQEAS-UHFFFAOYSA-N 2 0 331.460 2.006 20 10 EECDRP Cc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(O)c1 ZINC000876936429 1199823502 /nfs/dbraw/zinc/82/35/02/1199823502.db2.gz JHXDRZVWGSYEMT-UHFFFAOYSA-N 2 0 326.444 2.137 20 10 EECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001275278306 1205296743 /nfs/dbraw/zinc/29/67/43/1205296743.db2.gz GXEKFNRBLQPAFR-HXUWFJFHSA-N 2 0 347.503 2.250 20 10 EECDRP C[NH+](C)CCN[C@@]12CC[C@@]([NH2+]Cc3ccc(O)c(O)c3)(C1)CCC2 ZINC001275821682 1205550954 /nfs/dbraw/zinc/55/09/54/1205550954.db2.gz XNDUNCVPGOCFPG-RBUKOAKNSA-N 2 0 333.476 2.184 20 10 EECDRP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001045204968 1233578484 /nfs/dbraw/zinc/57/84/84/1233578484.db2.gz AHTZQKNNUPTRTK-ROUUACIJSA-N 2 0 347.503 2.424 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc1C ZINC001000935821 1241250584 /nfs/dbraw/zinc/25/05/84/1241250584.db2.gz ODHACEKNPIVPMV-GOSISDBHSA-N 2 0 345.487 2.180 20 10 EECDRP CCOc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c(O)c1 ZINC001276815222 1298492561 /nfs/dbraw/zinc/49/25/61/1298492561.db2.gz QCTLLMWJRHLGNJ-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001234994983 1305078189 /nfs/dbraw/zinc/07/81/89/1305078189.db2.gz WHBGLTYMUFNJFH-NRFANRHFSA-N 3 0 342.531 2.404 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235420766 1305224248 /nfs/dbraw/zinc/22/42/48/1305224248.db2.gz ASBBNAPGIZJELO-CVEARBPZSA-N 3 0 345.487 2.086 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN(C(C)C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC001236530033 1305591510 /nfs/dbraw/zinc/59/15/10/1305591510.db2.gz OIPGDEFLFWXIIC-FQEVSTJZSA-N 2 0 330.520 2.401 20 10 EECDRP C[NH+](C)CCN(Cc1ccc(N2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236923874 1305729958 /nfs/dbraw/zinc/72/99/58/1305729958.db2.gz MLNZUBXWWOZHGH-FQEVSTJZSA-N 2 0 330.520 2.402 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841099991 1315474776 /nfs/dbraw/zinc/47/47/76/1315474776.db2.gz RFHNTRVQKQEPKS-IBGZPJMESA-N 2 0 342.491 2.420 20 10 EECDRP [NH3+]CC[C@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)c2ccccc21 ZINC001157739316 1318829115 /nfs/dbraw/zinc/82/91/15/1318829115.db2.gz ISOJWLFYCXAUAH-NSHDSACASA-N 2 0 329.835 2.360 20 10 EECDRP COc1ccc(N2CC[NH+](CCCNc3ccc[n+](C)c3)CC2)cc1 ZINC001164335721 1321354722 /nfs/dbraw/zinc/35/47/22/1321354722.db2.gz ILTXVQDUYFEZGK-UHFFFAOYSA-N 2 0 341.479 2.144 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cc2)CC1 ZINC001206769077 1323586751 /nfs/dbraw/zinc/58/67/51/1323586751.db2.gz NGGRDCCOLQALNT-PKOBYXMFSA-N 3 0 330.520 2.388 20 10 EECDRP CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326187482 1334039429 /nfs/dbraw/zinc/03/94/29/1334039429.db2.gz GWFDNXKFSBYCMT-DOTOQJQBSA-N 2 0 337.483 2.464 20 10 EECDRP CN1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2F)CC1 ZINC001331418971 1335010519 /nfs/dbraw/zinc/01/05/19/1335010519.db2.gz MOXHDCYBIGGOSY-WMZOPIPTSA-N 2 0 334.483 2.185 20 10 EECDRP Cc1cc(O)c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000825537023 1369129298 /nfs/dbraw/zinc/12/92/98/1369129298.db2.gz QDDGKUJIDXVCJY-AWEZNQCLSA-N 2 0 325.884 2.470 20 10 EECDRP CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780903918 1371174413 /nfs/dbraw/zinc/17/44/13/1371174413.db2.gz VOQOEBUITCUODC-FQEVSTJZSA-N 2 0 330.520 2.210 20 10 EECDRP CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825005933 788378306 /nfs/dbraw/zinc/37/83/06/788378306.db2.gz VKJBNLWKXZJFOH-LJQANCHMSA-N 2 0 330.520 2.355 20 10 EECDRP COCOc1cnc(N(CC[NH3+])c2cccnc2)cc1/C=C/[NH+](C)C ZINC001168834232 803461761 /nfs/dbraw/zinc/46/17/61/803461761.db2.gz IUPCNZGSCBVYHG-RMKNXTFCSA-N 2 0 343.431 2.088 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368329918 466598109 /nfs/dbraw/zinc/59/81/09/466598109.db2.gz UTTPDSNIMBMKBI-LSDHHAIUSA-N 2 0 333.476 2.220 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC000970484479 675927912 /nfs/dbraw/zinc/92/79/12/675927912.db2.gz TVJYIXWHFURRKW-ZWKOTPCHSA-N 2 0 345.487 2.036 20 10 EECDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891243754 676235261 /nfs/dbraw/zinc/23/52/61/676235261.db2.gz UVSMYBYHYAWZPB-MOPGFXCFSA-N 2 0 346.519 2.344 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+](C)C)cc1 ZINC000891257137 676252625 /nfs/dbraw/zinc/25/26/25/676252625.db2.gz DCXXOPBRABCKIS-QGZVFWFLSA-N 2 0 334.508 2.250 20 10 EECDRP COc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850013892 1276991099 /nfs/dbraw/zinc/99/10/99/1276991099.db2.gz QQJYECPIWFBTGR-UHFFFAOYSA-N 2 0 349.519 2.425 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001187232512 1279442582 /nfs/dbraw/zinc/44/25/82/1279442582.db2.gz YOZMVDSQRNLQLX-GOSISDBHSA-N 2 0 347.503 2.426 20 10 EECDRP CCC1(O)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236939682 1305739749 /nfs/dbraw/zinc/73/97/49/1305739749.db2.gz UDFSWDNMCIJITD-UHFFFAOYSA-N 2 0 335.467 2.314 20 10 EECDRP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943046 1305740196 /nfs/dbraw/zinc/74/01/96/1305740196.db2.gz PEXWQGFUXDWQOB-HXUWFJFHSA-N 2 0 346.494 2.105 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC(=O)[C@H]4C3)c(F)c2)CC1 ZINC001236949077 1305742328 /nfs/dbraw/zinc/74/23/28/1305742328.db2.gz ZLNSYTLCKLEOLY-YJBOKZPZSA-N 2 0 345.462 2.379 20 10 EECDRP C[NH+]1CCC2(CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC001138499136 1314622118 /nfs/dbraw/zinc/62/21/18/1314622118.db2.gz ZKYVIOVNZVAJSO-UHFFFAOYSA-N 2 0 329.488 2.441 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCCC(=O)[C@@H]4C3)cc2)CC1 ZINC001139411222 1314740743 /nfs/dbraw/zinc/74/07/43/1314740743.db2.gz AJOXRLVWOZCYIX-IEBWSBKVSA-N 2 0 327.472 2.239 20 10 EECDRP C[NH+]1CCN(C2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC001204327569 1322113193 /nfs/dbraw/zinc/11/31/93/1322113193.db2.gz ZCFIJSMWCXJUBI-UHFFFAOYSA-N 2 0 342.531 2.499 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c(OC)c1 ZINC001205219435 1322317323 /nfs/dbraw/zinc/31/73/23/1322317323.db2.gz CXTCYDNKVSPVNP-IBGZPJMESA-N 2 0 335.492 2.217 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205559456 1323195998 /nfs/dbraw/zinc/19/59/98/1323195998.db2.gz RDAWXMRWVYBIDP-LJQANCHMSA-N 3 0 334.483 2.091 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311935 1323452861 /nfs/dbraw/zinc/45/28/61/1323452861.db2.gz WZUGXSPNEDVNRJ-HXUWFJFHSA-N 3 0 330.520 2.389 20 10 EECDRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001336924002 1336617693 /nfs/dbraw/zinc/61/76/93/1336617693.db2.gz RTRQVHVRDJKIKE-QAPCUYQASA-N 2 0 349.523 2.172 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)C(C)C)cc1C ZINC001754622440 1406936200 /nfs/dbraw/zinc/93/62/00/1406936200.db2.gz QXWUCOORPVZTJO-SFHVURJKSA-N 2 0 347.503 2.424 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC001578424463 1403753608 /nfs/dbraw/zinc/75/36/08/1403753608.db2.gz HQYTWWPEDHIRLU-OTWHNJEPSA-N 2 0 346.519 2.379 20 10 EECDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])cc2)C1 ZINC000817889517 785024003 /nfs/dbraw/zinc/02/40/03/785024003.db2.gz OJOQKZGGWOABTN-QRQLOZEOSA-N 2 0 344.503 2.138 20 10 EECDRP COc1c(O)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)ccc1[N+](=O)[O-] ZINC000844907638 789446167 /nfs/dbraw/zinc/44/61/67/789446167.db2.gz LLYSBACIEPBBLD-UHFFFAOYSA-N 2 0 335.335 2.197 20 10 EECDRP CN(C)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000134090329 463002723 /nfs/dbraw/zinc/00/27/23/463002723.db2.gz UBHUIXFWYDARDO-UHFFFAOYSA-N 2 0 335.467 2.436 20 10 EECDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185014525 463737214 /nfs/dbraw/zinc/73/72/14/463737214.db2.gz JMLCOVSUOBQEMU-INIZCTEOSA-N 2 0 335.492 2.469 20 10 EECDRP Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000771841534 577233619 /nfs/dbraw/zinc/23/36/19/577233619.db2.gz JAHCEGDCDUVKLU-GOSISDBHSA-N 2 0 329.444 2.163 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000775664354 577442207 /nfs/dbraw/zinc/44/22/07/577442207.db2.gz LTDNSIMEEPULRI-OAQYLSRUSA-N 2 0 342.531 2.499 20 10 EECDRP CC(C)[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+](C)C ZINC000891253949 676250125 /nfs/dbraw/zinc/25/01/25/676250125.db2.gz VHGLRUAPNBQPNE-QZTJIDSGSA-N 2 0 334.508 2.058 20 10 EECDRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289580 1202041169 /nfs/dbraw/zinc/04/11/69/1202041169.db2.gz TWTLBEZEMZUXIH-LJQANCHMSA-N 2 0 339.487 2.339 20 10 EECDRP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000796453940 1218253144 /nfs/dbraw/zinc/25/31/44/1218253144.db2.gz OZQWGQNSSOORTA-UHFFFAOYSA-N 2 0 333.476 2.117 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(CC)cc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222135757 1299377652 /nfs/dbraw/zinc/37/76/52/1299377652.db2.gz HHQHCYLHXXCBMA-PXNSSMCTSA-N 2 0 346.471 2.319 20 10 EECDRP Cc1cc(F)cc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001277520090 1303802459 /nfs/dbraw/zinc/80/24/59/1303802459.db2.gz YCDCOUBRNOUVKL-UHFFFAOYSA-N 2 0 335.467 2.299 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000784688269 1304527815 /nfs/dbraw/zinc/52/78/15/1304527815.db2.gz UJJVMYYPXMHGHV-PMACEKPBSA-N 2 0 329.488 2.486 20 10 EECDRP CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001236130787 1305508090 /nfs/dbraw/zinc/50/80/90/1305508090.db2.gz HSDXWBLPHDILQR-HXUWFJFHSA-N 2 0 330.520 2.402 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCC4)C3)c(F)c2)CC1 ZINC001236938146 1305736806 /nfs/dbraw/zinc/73/68/06/1305736806.db2.gz KFQSPWWVUBVFMG-IBGZPJMESA-N 2 0 346.494 2.248 20 10 EECDRP C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236943500 1305740992 /nfs/dbraw/zinc/74/09/92/1305740992.db2.gz SCWPBAMQMIXSEA-LJQANCHMSA-N 2 0 346.494 2.246 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@H]4C3)c(F)c2)CC1 ZINC001236943996 1305741464 /nfs/dbraw/zinc/74/14/64/1305741464.db2.gz YHKWTKPMTXXGNI-LPHOPBHVSA-N 2 0 333.451 2.188 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@H]4[NH2+]CCC[C@H]4C3)c(F)c2)CC1 ZINC001237413070 1305924848 /nfs/dbraw/zinc/92/48/48/1305924848.db2.gz IWZRAAIIVGUHPL-FXAWDEMLSA-N 2 0 346.494 2.151 20 10 EECDRP CCN(CC[NH+]1CCCC1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139256660 1314722190 /nfs/dbraw/zinc/72/21/90/1314722190.db2.gz GLEPINIYBIQGBE-UHFFFAOYSA-N 2 0 335.492 2.380 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(n4cccn4)CC3)cc2)CC1 ZINC001139410828 1314740754 /nfs/dbraw/zinc/74/07/54/1314740754.db2.gz HREBUHZMZXXIQX-UHFFFAOYSA-N 2 0 339.487 2.472 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001139409935 1314740969 /nfs/dbraw/zinc/74/09/69/1314740969.db2.gz VYOOHLRLLFAKHI-HXUWFJFHSA-N 2 0 328.504 2.109 20 10 EECDRP COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412807 1314741414 /nfs/dbraw/zinc/74/14/14/1314741414.db2.gz OFRJHMBXHSUZCT-GOSISDBHSA-N 2 0 345.487 2.214 20 10 EECDRP Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1N(C)C ZINC001139671724 1314756942 /nfs/dbraw/zinc/75/69/42/1314756942.db2.gz PIPOUMQWUXWLLY-VQTJNVASSA-N 2 0 330.520 2.271 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001140306058 1314862862 /nfs/dbraw/zinc/86/28/62/1314862862.db2.gz MTIMKDJLJPMRDA-CTNGQTDRSA-N 2 0 342.531 2.497 20 10 EECDRP CC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@@H]2C1 ZINC001140309654 1314865618 /nfs/dbraw/zinc/86/56/18/1314865618.db2.gz PCJHWAGSGGOCSG-BGYRXZFFSA-N 3 0 342.531 2.212 20 10 EECDRP CCn1cncc1C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000841860096 1315625983 /nfs/dbraw/zinc/62/59/83/1315625983.db2.gz ATDDAMMPGKHSKT-UHFFFAOYSA-N 2 0 345.466 2.474 20 10 EECDRP c1cc(N2CCCCC2)ccc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000843124056 1315848679 /nfs/dbraw/zinc/84/86/79/1315848679.db2.gz UTZUBMAYBSQAOG-HXUWFJFHSA-N 2 0 328.504 2.156 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1C ZINC001160274203 1320119550 /nfs/dbraw/zinc/11/95/50/1320119550.db2.gz QNIZOAUNKJZLPE-GOSISDBHSA-N 2 0 347.503 2.474 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](C)([NH3+])CC3)c(F)c2)CC1 ZINC001205289066 1322343394 /nfs/dbraw/zinc/34/33/94/1322343394.db2.gz SFAGDIDZTNQVAI-IBGZPJMESA-N 3 0 334.483 2.281 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CC23CCCC3)[NH+](C)C)cc1 ZINC001263260292 1322448733 /nfs/dbraw/zinc/44/87/33/1322448733.db2.gz WXEDMZUNKIADNP-MSOLQXFVSA-N 2 0 344.503 2.004 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001206002729 1323367229 /nfs/dbraw/zinc/36/72/29/1323367229.db2.gz AAIKOYWFQLQOQE-GDBMZVCRSA-N 3 0 335.492 2.269 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)cc1C ZINC001209322852 1324901735 /nfs/dbraw/zinc/90/17/35/1324901735.db2.gz ACJRASIOKQPGFW-SFHVURJKSA-N 2 0 347.503 2.426 20 10 EECDRP COC1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)CC1 ZINC001578940461 1344322052 /nfs/dbraw/zinc/32/20/52/1344322052.db2.gz GINDLGKRNXSYFP-MSOLQXFVSA-N 2 0 329.488 2.343 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000848718838 1373170576 /nfs/dbraw/zinc/17/05/76/1373170576.db2.gz RBEOOYNPSZIWMB-IRXDYDNUSA-N 3 0 334.483 2.327 20 10 EECDRP C[NH+]1CCN(c2ccc(CNc3ccc4c([nH+]3)NCCO4)cc2)CC1 ZINC001167437647 759396855 /nfs/dbraw/zinc/39/68/55/759396855.db2.gz WZRFCXWPJQYXHP-UHFFFAOYSA-N 2 0 339.443 2.250 20 10 EECDRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809723920 783336152 /nfs/dbraw/zinc/33/61/52/783336152.db2.gz BEZRQCGDLDLHDW-WIYYLYMNSA-N 2 0 342.531 2.497 20 10 EECDRP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765129 783370673 /nfs/dbraw/zinc/37/06/73/783370673.db2.gz LJXZUUGRXCLWBL-FXAWDEMLSA-N 2 0 330.520 2.210 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001035125808 783848287 /nfs/dbraw/zinc/84/82/87/783848287.db2.gz OODDAOLAYXTFOE-QZTJIDSGSA-N 2 0 345.487 2.036 20 10 EECDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817936553 785080825 /nfs/dbraw/zinc/08/08/25/785080825.db2.gz UGENHROBXIZMEJ-CXAGYDPISA-N 2 0 339.430 2.279 20 10 EECDRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)ccc1O ZINC000817982708 785130558 /nfs/dbraw/zinc/13/05/58/785130558.db2.gz VPYNRVFTQVFEBO-CMPLNLGQSA-N 2 0 329.238 2.184 20 10 EECDRP CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825336977 788577325 /nfs/dbraw/zinc/57/73/25/788577325.db2.gz BMJNVTXCOZWLMH-HXUWFJFHSA-N 2 0 330.520 2.353 20 10 EECDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001171731349 796708026 /nfs/dbraw/zinc/70/80/26/796708026.db2.gz CZYLPSCWVVJZBN-UHFFFAOYSA-N 2 0 335.492 2.331 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)cc2)CC1 ZINC000775736283 577444264 /nfs/dbraw/zinc/44/42/64/577444264.db2.gz BKBBUJZUIMNAMC-MOPGFXCFSA-N 2 0 347.528 2.145 20 10 EECDRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000756548855 577846410 /nfs/dbraw/zinc/84/64/10/577846410.db2.gz LPBLJTISTMXOMV-NFAWXSAZSA-N 2 0 349.450 2.257 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)C(F)F)cc2F)CC1 ZINC000905099072 694528571 /nfs/dbraw/zinc/52/85/71/694528571.db2.gz YMIOBSQEHWOYAF-KRWDZBQOSA-N 2 0 345.409 2.073 20 10 EECDRP CCOc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c(O)c1 ZINC000877747397 1200071413 /nfs/dbraw/zinc/07/14/13/1200071413.db2.gz KAPRKAXCRNIKLC-UHFFFAOYSA-N 2 0 333.476 2.003 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(O)(C(F)F)CC3)cc2)CC1 ZINC000779208516 1209362077 /nfs/dbraw/zinc/36/20/77/1209362077.db2.gz KOKLXNSUWQCTOF-UHFFFAOYSA-N 2 0 339.430 2.030 20 10 EECDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850565833 1277268858 /nfs/dbraw/zinc/26/88/58/1277268858.db2.gz IDYUBUSBAKBMQG-JXFKEZNVSA-N 2 0 331.504 2.468 20 10 EECDRP Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]([NH3+])CCCC[NH3+])cc1 ZINC001218954584 1297880438 /nfs/dbraw/zinc/88/04/38/1297880438.db2.gz BJEVXPQOLZRRQW-SFHVURJKSA-N 2 0 326.444 2.258 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235420768 1305224454 /nfs/dbraw/zinc/22/44/54/1305224454.db2.gz ASBBNAPGIZJELO-HOTGVXAUSA-N 3 0 345.487 2.086 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH+](CC2CCCC2)CC1 ZINC001235712882 1305345844 /nfs/dbraw/zinc/34/58/44/1305345844.db2.gz RGVITDQZJPSTFN-UHFFFAOYSA-N 2 0 342.531 2.404 20 10 EECDRP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC2CC2)CC1 ZINC001236550505 1305593817 /nfs/dbraw/zinc/59/38/17/1305593817.db2.gz JNPQVOPEBZEEAF-IYARVYRRSA-N 3 0 345.487 2.356 20 10 EECDRP C[NH+](C)CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236938842 1305739637 /nfs/dbraw/zinc/73/96/37/1305739637.db2.gz LPHCFAOETLNAMX-UHFFFAOYSA-N 3 0 348.510 2.351 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[N@H+](C)C(C)(C)C3)c(F)c2)CC1 ZINC001236942545 1305739208 /nfs/dbraw/zinc/73/92/08/1305739208.db2.gz KQWYOLVMIPWTMJ-UHFFFAOYSA-N 2 0 334.483 2.104 20 10 EECDRP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](CC)[NH2+]1 ZINC001246172199 1310252465 /nfs/dbraw/zinc/25/24/65/1310252465.db2.gz GMQPFMLNFMDVEM-BWTSREIZSA-N 3 0 330.520 2.495 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246176443 1310253826 /nfs/dbraw/zinc/25/38/26/1310253826.db2.gz XQZSDPIWENEKQK-AZUAARDMSA-N 3 0 328.504 2.108 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000832282491 1314669777 /nfs/dbraw/zinc/66/97/77/1314669777.db2.gz ZUNUZBOKMLSUJN-IBGZPJMESA-N 2 0 340.471 2.244 20 10 EECDRP COc1cc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)cc(C[NH+](C)C)c1O ZINC001139255084 1314722040 /nfs/dbraw/zinc/72/20/40/1314722040.db2.gz MNCQBDBPYAWXJQ-LJQANCHMSA-N 2 0 336.476 2.445 20 10 EECDRP CCC[NH+]1C[C@H]2CN(Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C[C@@H]2C1 ZINC001139261076 1314722458 /nfs/dbraw/zinc/72/24/58/1314722458.db2.gz UEUUIWNONHEMJX-ROUUACIJSA-N 2 0 347.503 2.236 20 10 EECDRP CC[N@H+](CCn1ccnc1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261047 1314722734 /nfs/dbraw/zinc/72/27/34/1314722734.db2.gz SQAFOGQFIQJLCH-UHFFFAOYSA-N 2 0 332.448 2.181 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(CO)CC3)cc2)CC1 ZINC001139408656 1314740222 /nfs/dbraw/zinc/74/02/22/1314740222.db2.gz OJQDPRQILABFMW-HXUWFJFHSA-N 2 0 331.504 2.423 20 10 EECDRP COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC001139412117 1314741398 /nfs/dbraw/zinc/74/13/98/1314741398.db2.gz FWVXEAKEXJNJBJ-QFBILLFUSA-N 2 0 345.487 2.212 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C)[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001140309283 1314865275 /nfs/dbraw/zinc/86/52/75/1314865275.db2.gz ABVJCZNMRJHEDF-LPHOPBHVSA-N 2 0 345.487 2.069 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000843046402 1315828548 /nfs/dbraw/zinc/82/85/48/1315828548.db2.gz UNZGPOJIZVYIPZ-HXUWFJFHSA-N 2 0 329.488 2.487 20 10 EECDRP Oc1ccccc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001203551837 1321910271 /nfs/dbraw/zinc/91/02/71/1321910271.db2.gz PYTRNLOWLBVSMI-UHFFFAOYSA-N 2 0 326.444 2.243 20 10 EECDRP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001276505624 1323827237 /nfs/dbraw/zinc/82/72/37/1323827237.db2.gz UUIUIBDTACFBKG-UHFFFAOYSA-N 2 0 343.393 2.233 20 10 EECDRP CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308264677 1331580214 /nfs/dbraw/zinc/58/02/14/1331580214.db2.gz QYBMQGFXLUQKSO-HXUWFJFHSA-N 2 0 330.520 2.402 20 10 EECDRP CN1CCN(c2ccc(C[NH2+]Cc3ccc(C[NH3+])cc3)cc2F)CC1 ZINC001327004249 1334200965 /nfs/dbraw/zinc/20/09/65/1334200965.db2.gz JDXLMKAKVQYOQR-UHFFFAOYSA-N 2 0 342.462 2.326 20 10 EECDRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2C1 ZINC001140288833 1372557674 /nfs/dbraw/zinc/55/76/74/1372557674.db2.gz VRWQGBIZKYXPSF-QZTJIDSGSA-N 2 0 329.488 2.031 20 10 EECDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000817892794 785048485 /nfs/dbraw/zinc/04/84/85/785048485.db2.gz CLAWXIOCVBDGFN-VQTJNVASSA-N 2 0 346.519 2.067 20 10 EECDRP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000825246503 788533608 /nfs/dbraw/zinc/53/36/08/788533608.db2.gz BERFQJSSXBIMHS-CYBMUJFWSA-N 2 0 339.867 2.031 20 10 EECDRP Cc1cc(O)c(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000825429964 788604711 /nfs/dbraw/zinc/60/47/11/788604711.db2.gz RXOYIWZDBMWTPN-UHFFFAOYSA-N 2 0 325.884 2.470 20 10 EECDRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000844904348 789444922 /nfs/dbraw/zinc/44/49/22/789444922.db2.gz IRGPPRPKECAOPI-UHFFFAOYSA-N 2 0 329.419 2.411 20 10 EECDRP CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775711905 577443385 /nfs/dbraw/zinc/44/33/85/577443385.db2.gz KBVLHNOTXOUWRS-MSOLQXFVSA-N 2 0 330.520 2.353 20 10 EECDRP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001275418595 1205351378 /nfs/dbraw/zinc/35/13/78/1205351378.db2.gz HNMLLRAHDFPFEN-FQEVSTJZSA-N 2 0 347.503 2.337 20 10 EECDRP COc1ccc(N2CCC([NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)CC2)cc1 ZINC000925565730 1206129082 /nfs/dbraw/zinc/12/90/82/1206129082.db2.gz XDRJNEZIWVHDSE-YJKZWKBDSA-N 2 0 327.472 2.250 20 10 EECDRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858096520 1294004863 /nfs/dbraw/zinc/00/48/63/1294004863.db2.gz GHLKUOYGUWHLGJ-UHFFFAOYSA-N 2 0 340.462 2.148 20 10 EECDRP Oc1cc2c(cc1C[NH+]1CCC([C@@H]3CCCC[NH2+]3)CC1)C[NH2+]CCO2 ZINC001235241238 1305160090 /nfs/dbraw/zinc/16/00/90/1305160090.db2.gz ZNWQAIPGZCJVOI-SFHVURJKSA-N 3 0 345.487 2.228 20 10 EECDRP CCN(Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008047 1305473570 /nfs/dbraw/zinc/47/35/70/1305473570.db2.gz PUSPNHBJEXIKBI-HXUWFJFHSA-N 2 0 330.520 2.402 20 10 EECDRP CC[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C(C)(C)C1 ZINC001236948161 1305743245 /nfs/dbraw/zinc/74/32/45/1305743245.db2.gz VTGYZCAKEWDRET-UHFFFAOYSA-N 2 0 348.510 2.494 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1CN(C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155193 1305810180 /nfs/dbraw/zinc/81/01/80/1305810180.db2.gz PBACWUNFWMYHKS-HXUWFJFHSA-N 2 0 328.504 2.203 20 10 EECDRP Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3C[NH2+]CC34C[NH2+]C4)n2)cc1 ZINC001247830849 1310734334 /nfs/dbraw/zinc/73/43/34/1310734334.db2.gz PULKYHGFQXCLBR-KRWDZBQOSA-N 2 0 349.438 2.421 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140302451 1314861486 /nfs/dbraw/zinc/86/14/86/1314861486.db2.gz RJFYXEBOLWMLRC-MOPGFXCFSA-N 2 0 329.488 2.297 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)C4=O)cc2)CC1 ZINC001140304386 1314862029 /nfs/dbraw/zinc/86/20/29/1314862029.db2.gz MYMCOMDMMQRJIZ-HDICACEKSA-N 2 0 327.472 2.239 20 10 EECDRP CCC[NH+]1CCN(Cc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC001140304283 1314862610 /nfs/dbraw/zinc/86/26/10/1314862610.db2.gz LWDAPPGASQCBER-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CC(=O)OC)C3)cc2)CC1 ZINC001140309661 1314865364 /nfs/dbraw/zinc/86/53/64/1314865364.db2.gz PJAHSCPQTUKZMC-GOSISDBHSA-N 2 0 345.487 2.214 20 10 EECDRP COCC[N@H+](Cc1ccc2c(c1)OCCN2C)C1CCN(C)CC1 ZINC001141143397 1315049641 /nfs/dbraw/zinc/04/96/41/1315049641.db2.gz XLFAMCDESONTIA-UHFFFAOYSA-N 2 0 333.476 2.058 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC000843119880 1315847848 /nfs/dbraw/zinc/84/78/48/1315847848.db2.gz JMRIOHAYLBSHMH-UHFFFAOYSA-N 3 0 328.504 2.014 20 10 EECDRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205558917 1323195319 /nfs/dbraw/zinc/19/53/19/1323195319.db2.gz LNZHXVNKJSULEI-LJQANCHMSA-N 2 0 335.467 2.301 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2F)CC1 ZINC001332357600 1335809526 /nfs/dbraw/zinc/80/95/26/1335809526.db2.gz AVIRLAPKBMGHOW-UHFFFAOYSA-N 2 0 346.494 2.153 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000832282103 1372423483 /nfs/dbraw/zinc/42/34/83/1372423483.db2.gz YHULGZZGNGABLY-MSOLQXFVSA-N 2 0 332.492 2.166 20 10 EECDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895142 785051668 /nfs/dbraw/zinc/05/16/68/785051668.db2.gz RISGZAUFHFRYKL-YJBOKZPZSA-N 2 0 335.467 2.394 20 10 EECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc21 ZINC000817900869 785054638 /nfs/dbraw/zinc/05/46/38/785054638.db2.gz PRUZBGJTXYOYHF-GUDVDZBRSA-N 2 0 329.488 2.316 20 10 EECDRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c1O ZINC000817980750 785129437 /nfs/dbraw/zinc/12/94/37/785129437.db2.gz DFKSOXDSNXIVLW-YPMHNXCESA-N 2 0 343.265 2.492 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C23CCC[NH+](CCC2)C3)cc1C ZINC001130173281 811274335 /nfs/dbraw/zinc/27/43/35/811274335.db2.gz FQKFEXVZBJYBEP-UHFFFAOYSA-N 2 0 345.487 2.085 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4cccc(O)c43)cn2)CC1 ZINC000295952237 465032752 /nfs/dbraw/zinc/03/27/52/465032752.db2.gz LMZIMPJFFLTUOY-KRWDZBQOSA-N 2 0 338.455 2.316 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2)CC1 ZINC000775742331 577444491 /nfs/dbraw/zinc/44/44/91/577444491.db2.gz UEWQWQKBMLSYMB-CTNGQTDRSA-N 3 0 342.531 2.355 20 10 EECDRP COc1ccc(O)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000895607704 684661372 /nfs/dbraw/zinc/66/13/72/684661372.db2.gz UHROVDKPAUTOIK-UHFFFAOYSA-N 2 0 341.455 2.442 20 10 EECDRP C[C@@H](O)c1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283633 1202040335 /nfs/dbraw/zinc/04/03/35/1202040335.db2.gz MMKQWSGIFSLSGK-CQSZACIVSA-N 2 0 346.500 2.238 20 10 EECDRP COc1cccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c1O ZINC001275271769 1205294665 /nfs/dbraw/zinc/29/46/65/1205294665.db2.gz XYFGXPZRPBCEDV-UXHICEINSA-N 2 0 347.503 2.487 20 10 EECDRP Cc1c(O)ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001276118112 1205782157 /nfs/dbraw/zinc/78/21/57/1205782157.db2.gz OADJPDHGCVYDSN-FQEVSTJZSA-N 2 0 347.503 2.256 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)c3O)C[C@@H]1C[NH2+]CCC2 ZINC001222136419 1299379782 /nfs/dbraw/zinc/37/97/82/1299379782.db2.gz UNYOAPPDSJLUFF-LPHOPBHVSA-N 2 0 332.444 2.065 20 10 EECDRP C[NH+]1CCC(C[NH+]2CCN(Cc3c(O)ccc(F)c3F)CC2)CC1 ZINC001233336576 1304436096 /nfs/dbraw/zinc/43/60/96/1304436096.db2.gz QPJSUYNRIPIDAX-UHFFFAOYSA-N 2 0 339.430 2.130 20 10 EECDRP CCOC(=O)[C@]12CN(Cc3cc(Cl)ccc3O)C[C@H]1C[NH2+]CC2 ZINC001236038261 1305481289 /nfs/dbraw/zinc/48/12/89/1305481289.db2.gz OUONIMJWLCZMLL-CXAGYDPISA-N 2 0 338.835 2.020 20 10 EECDRP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2C1 ZINC001138499767 1314622483 /nfs/dbraw/zinc/62/24/83/1314622483.db2.gz IHPDRAYJRYXBHU-RTBURBONSA-N 2 0 329.488 2.297 20 10 EECDRP COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139408679 1314740261 /nfs/dbraw/zinc/74/02/61/1314740261.db2.gz OZRMHMUURIIWNY-SJLPKXTDSA-N 2 0 345.487 2.212 20 10 EECDRP C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000841846071 1315622130 /nfs/dbraw/zinc/62/21/30/1315622130.db2.gz JOVJMTIPSJRWAX-KYNGSXCRSA-N 2 0 340.471 2.205 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206021692 1323371729 /nfs/dbraw/zinc/37/17/29/1323371729.db2.gz ATAORGPAMJQGMO-IAGOWNOFSA-N 3 0 348.510 2.384 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556001 1323531656 /nfs/dbraw/zinc/53/16/56/1323531656.db2.gz MDBJWUFEYZNEFN-HXUWFJFHSA-N 3 0 330.520 2.389 20 10 EECDRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940418 785086612 /nfs/dbraw/zinc/08/66/12/785086612.db2.gz GTLTXWOSPKMKER-DJJJIMSYSA-N 2 0 327.476 2.265 20 10 EECDRP CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000824683386 788272932 /nfs/dbraw/zinc/27/29/32/788272932.db2.gz HARJHMOENQXXNL-IBGZPJMESA-N 2 0 346.519 2.031 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+](CCO)C3CCSCC3)cc2)CC1 ZINC000825134109 788452081 /nfs/dbraw/zinc/45/20/81/788452081.db2.gz VIWKMUMJMWASAH-UHFFFAOYSA-N 2 0 349.544 2.128 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC001147834516 791992778 /nfs/dbraw/zinc/99/27/78/791992778.db2.gz LAUCDDCXEDMDJN-ZWKOTPCHSA-N 2 0 347.503 2.330 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C2CC2)O1 ZINC000793214406 810190071 /nfs/dbraw/zinc/19/00/71/810190071.db2.gz OCHFFUJCQOAQLH-OXJNMPFZSA-N 2 0 329.488 2.438 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370698980 466970435 /nfs/dbraw/zinc/97/04/35/466970435.db2.gz KJTHNUBUADOSHB-QFBILLFUSA-N 2 0 347.503 2.249 20 10 EECDRP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)C1 ZINC000738214203 578004050 /nfs/dbraw/zinc/00/40/50/578004050.db2.gz OUHODVABIJFRSQ-KRWDZBQOSA-N 2 0 340.471 2.152 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000775023985 577426810 /nfs/dbraw/zinc/42/68/10/577426810.db2.gz PCJFAEMYNLBHRQ-UHFFFAOYSA-N 3 0 342.531 2.402 20 10 EECDRP C[NH+](C)CCCC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768464891 577556433 /nfs/dbraw/zinc/55/64/33/577556433.db2.gz FXBFHCSEOFIMCW-SFHVURJKSA-N 2 0 334.460 2.372 20 10 EECDRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001034973600 1196930864 /nfs/dbraw/zinc/93/08/64/1196930864.db2.gz AHTZQKNNUPTRTK-QZTJIDSGSA-N 2 0 347.503 2.424 20 10 EECDRP COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001275276445 1205295673 /nfs/dbraw/zinc/29/56/73/1205295673.db2.gz ZGVAAPGIOWCEQG-FQEVSTJZSA-N 2 0 347.503 2.250 20 10 EECDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001275912486 1205582001 /nfs/dbraw/zinc/58/20/01/1205582001.db2.gz AOBQWZMUQDARCH-UHFFFAOYSA-N 2 0 335.467 2.381 20 10 EECDRP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001277420691 1302946075 /nfs/dbraw/zinc/94/60/75/1302946075.db2.gz FNIXPRIYPPMXIG-IBGZPJMESA-N 2 0 332.444 2.025 20 10 EECDRP CCOC(=O)[C@@H]1CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236037233 1305479801 /nfs/dbraw/zinc/47/98/01/1305479801.db2.gz FDWIGTYQEKWPFS-GOSISDBHSA-N 2 0 345.487 2.261 20 10 EECDRP CC[NH+]1CCC(N(C)Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236939586 1305739540 /nfs/dbraw/zinc/73/95/40/1305739540.db2.gz SXZIBENYUVKNSU-UHFFFAOYSA-N 2 0 348.510 2.494 20 10 EECDRP CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001254083353 1317998501 /nfs/dbraw/zinc/99/85/01/1317998501.db2.gz VYMORSZOJJOLMD-PMACEKPBSA-N 2 0 330.520 2.401 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@](F)(C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205558802 1323194611 /nfs/dbraw/zinc/19/46/11/1323194611.db2.gz IRORRRMJUCZQOU-SFHVURJKSA-N 3 0 339.455 2.115 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002744 1323366916 /nfs/dbraw/zinc/36/69/16/1323366916.db2.gz AFENOFIRACKVKX-PKOBYXMFSA-N 3 0 330.520 2.245 20 10 EECDRP CN1CCCc2cc(C[N@@H+]3CC[C@H]4CN(CC[NH+](C)C)C[C@H]43)ccc21 ZINC001276581756 1324654838 /nfs/dbraw/zinc/65/48/38/1324654838.db2.gz SJIUBERERTUVAE-PZJWPPBQSA-N 2 0 342.531 2.137 20 10 EECDRP c1ccc([C@H]2C[NH2+]CCN2Cc2ccc(N3CC[NH2+]CC3)cc2)cc1 ZINC001210216002 1325202562 /nfs/dbraw/zinc/20/25/62/1325202562.db2.gz OUFIWWKEKLRWKL-OAQYLSRUSA-N 2 0 336.483 2.243 20 10 EECDRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001328681551 1334497477 /nfs/dbraw/zinc/49/74/77/1334497477.db2.gz OCOJEWVARHRUGA-LJQANCHMSA-N 2 0 340.475 2.174 20 10 EECDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963548 1349082963 /nfs/dbraw/zinc/08/29/63/1349082963.db2.gz LAZWDSKBKNBVPR-KGLIPLIRSA-N 2 0 344.463 2.343 20 10 EECDRP Oc1cc(O)c(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1O ZINC001167966597 781316259 /nfs/dbraw/zinc/31/62/59/781316259.db2.gz XDNNFPHIAPKVIQ-MQVJKMGUSA-N 2 0 332.444 2.341 20 10 EECDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895141 785051651 /nfs/dbraw/zinc/05/16/51/785051651.db2.gz RISGZAUFHFRYKL-QAPCUYQASA-N 2 0 335.467 2.394 20 10 EECDRP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1O ZINC000817980745 785129320 /nfs/dbraw/zinc/12/93/20/785129320.db2.gz DFKSOXDSNXIVLW-DGCLKSJQSA-N 2 0 343.265 2.492 20 10 EECDRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1)[NH+](C)C ZINC000997014769 788469528 /nfs/dbraw/zinc/46/95/28/788469528.db2.gz JWRIOWHRPLUQRO-SFHVURJKSA-N 2 0 347.503 2.424 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1C ZINC001106626805 795990298 /nfs/dbraw/zinc/99/02/98/795990298.db2.gz LYQWSOLIKHOLRX-SJLPKXTDSA-N 2 0 347.503 2.139 20 10 EECDRP COc1c(C2C[NH2+]C2)ncnc1N1CCC[C@H]([NH3+])c2cc(C)ccc21 ZINC001169699434 803972770 /nfs/dbraw/zinc/97/27/70/803972770.db2.gz YQYIUWGFXRXMCL-HNNXBMFYSA-N 2 0 339.443 2.412 20 10 EECDRP CCCOc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC000185866891 463894326 /nfs/dbraw/zinc/89/43/26/463894326.db2.gz HQFQPNMZBPUVBZ-MRXNPFEDSA-N 2 0 335.492 2.297 20 10 EECDRP CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000769525576 577579723 /nfs/dbraw/zinc/57/97/23/577579723.db2.gz IPWUDOVPQRTNOM-QFBILLFUSA-N 2 0 347.503 2.249 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1C ZINC001020590351 675219465 /nfs/dbraw/zinc/21/94/65/675219465.db2.gz SZTZXXZPHTXERP-ZTFGCOKTSA-N 2 0 345.487 2.082 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(C)(C)O)C3)cc2)CC1 ZINC000877797339 1200113870 /nfs/dbraw/zinc/11/38/70/1200113870.db2.gz UEQMMVSIKZNSSH-SFHVURJKSA-N 2 0 331.504 2.421 20 10 EECDRP COc1cccc(O)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283380 1202040426 /nfs/dbraw/zinc/04/04/26/1202040426.db2.gz CNAIWZJOKLENLY-UHFFFAOYSA-N 2 0 341.455 2.442 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)nc3)cc2)CC1 ZINC000883283844 1202040445 /nfs/dbraw/zinc/04/04/45/1202040445.db2.gz VLILCNGWKPOOIR-UHFFFAOYSA-N 2 0 337.471 2.396 20 10 EECDRP Oc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1O ZINC001275821665 1205550898 /nfs/dbraw/zinc/55/08/98/1205550898.db2.gz XCVAXLFLYGDDGX-CALCHBBNSA-N 2 0 342.443 2.165 20 10 EECDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1c(O)ccc2ccccc21 ZINC001276078493 1205762451 /nfs/dbraw/zinc/76/24/51/1205762451.db2.gz QBMNSIPKUGYIHB-CALCHBBNSA-N 2 0 325.456 2.366 20 10 EECDRP COc1ccc(N2CC[C@H](C[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)C2)cc1 ZINC000925709340 1206145356 /nfs/dbraw/zinc/14/53/56/1206145356.db2.gz VBXMXOXPAPFNLF-HUGJHKJRSA-N 2 0 327.472 2.108 20 10 EECDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000925777387 1206153260 /nfs/dbraw/zinc/15/32/60/1206153260.db2.gz NQQIYZHGRJRTOE-RBUKOAKNSA-N 2 0 344.503 2.138 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](COC)C3CC3)cc2F)CC1 ZINC000155325480 1208324204 /nfs/dbraw/zinc/32/42/04/1208324204.db2.gz LJKLUUKAKFGKDF-SFHVURJKSA-N 2 0 335.467 2.482 20 10 EECDRP [NH3+][C@H](CC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1ccccc1O ZINC001218996723 1297900448 /nfs/dbraw/zinc/90/04/48/1297900448.db2.gz NIKYZFURVXHONB-WMLDXEAASA-N 2 0 325.412 2.498 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]1C[NH2+]CCC2 ZINC001222130957 1299373962 /nfs/dbraw/zinc/37/39/62/1299373962.db2.gz LRENTIDWSKFVBO-JXFKEZNVSA-N 2 0 346.471 2.374 20 10 EECDRP C[NH+](C)CCN(Cc1c(O)ccc(F)c1Cl)[C@@H]1CCC[NH2+]C1 ZINC001236931014 1305734464 /nfs/dbraw/zinc/73/44/64/1305734464.db2.gz FFJWGWYXGAMUDU-GFCCVEGCSA-N 2 0 329.847 2.300 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(CCOC4)C3)c(F)c2)CC1 ZINC001236935669 1305737310 /nfs/dbraw/zinc/73/73/10/1305737310.db2.gz JRFHBXZFSIYNBI-IBGZPJMESA-N 2 0 333.451 2.190 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCCC(=O)[C@@H]4C3)c(F)c2)CC1 ZINC001236949064 1305742448 /nfs/dbraw/zinc/74/24/48/1305742448.db2.gz ZLNSYTLCKLEOLY-CRAIPNDOSA-N 2 0 345.462 2.379 20 10 EECDRP CC(=O)c1cc(F)cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1O ZINC000843388892 1315905507 /nfs/dbraw/zinc/90/55/07/1315905507.db2.gz CPNXZASTYPHZOM-AEFFLSMTSA-N 2 0 336.407 2.062 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)CCC[NH+]2CCCCC2)cc1C ZINC001151361442 1316512398 /nfs/dbraw/zinc/51/23/98/1316512398.db2.gz GTKCJPOZOGDXCQ-UHFFFAOYSA-N 2 0 347.503 2.476 20 10 EECDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001329710070 1334700663 /nfs/dbraw/zinc/70/06/63/1334700663.db2.gz HDBKHVFFLVDNEI-CQSZACIVSA-N 2 0 329.435 2.477 20 10 EECDRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834172 1337582193 /nfs/dbraw/zinc/58/21/93/1337582193.db2.gz KQNQZLURFBYSSZ-SOLBZPMBSA-N 2 0 348.510 2.383 20 10 EECDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834169 1337582386 /nfs/dbraw/zinc/58/23/86/1337582386.db2.gz KQNQZLURFBYSSZ-JFIYKMOQSA-N 2 0 348.510 2.383 20 10 EECDRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703909 783320510 /nfs/dbraw/zinc/32/05/10/783320510.db2.gz RTDMMRLQKLIOIH-GHTZIAJQSA-N 2 0 342.531 2.497 20 10 EECDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000817865533 785031587 /nfs/dbraw/zinc/03/15/87/785031587.db2.gz KNRUDRBXBNPHCU-LMMKCTJWSA-N 3 0 330.520 2.244 20 10 EECDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CC[NH2+]CC1 ZINC000817902126 785056323 /nfs/dbraw/zinc/05/63/23/785056323.db2.gz IUJSWIRWJYTDEU-CQSZACIVSA-N 2 0 332.444 2.033 20 10 EECDRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940420 785086750 /nfs/dbraw/zinc/08/67/50/785086750.db2.gz GTLTXWOSPKMKER-YJYMSZOUSA-N 2 0 327.476 2.265 20 10 EECDRP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC[NH+](C)CC1 ZINC000165199266 789405150 /nfs/dbraw/zinc/40/51/50/789405150.db2.gz LZGQBXFYJUNJKT-HNNXBMFYSA-N 2 0 335.467 2.482 20 10 EECDRP CCC1(CO)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775712503 577443419 /nfs/dbraw/zinc/44/34/19/577443419.db2.gz HGIWUSNFHPPXAY-UHFFFAOYSA-N 2 0 331.504 2.423 20 10 EECDRP C[N@@H+]1[C@@H]2CC[C@H]1CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000775717876 577443610 /nfs/dbraw/zinc/44/36/10/577443610.db2.gz SMBZNRYTXMHVJT-QUCCMNQESA-N 2 0 328.504 2.107 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C ZINC000983322933 682276362 /nfs/dbraw/zinc/27/63/62/682276362.db2.gz NYOCGJBRHMUUBP-KZNAEPCWSA-N 2 0 345.487 2.082 20 10 EECDRP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1(C)OCCO1 ZINC000865674796 1198326952 /nfs/dbraw/zinc/32/69/52/1198326952.db2.gz ZPAAIMCLCUILRU-QGZVFWFLSA-N 2 0 347.503 2.317 20 10 EECDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CN1C1CC1 ZINC000883283515 1202040150 /nfs/dbraw/zinc/04/01/50/1202040150.db2.gz IIQFCABADNPYPQ-SJLPKXTDSA-N 2 0 328.504 2.153 20 10 EECDRP Cc1cccc(C[N@H+]2CCC[C@]3(CCN(CC(=O)N(C)C)C3)C2)c1O ZINC001276080742 1205764428 /nfs/dbraw/zinc/76/44/28/1205764428.db2.gz TYUBIUZZBOOIHN-FQEVSTJZSA-N 2 0 345.487 2.077 20 10 EECDRP CCCN1CCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000796521439 1220805856 /nfs/dbraw/zinc/80/58/56/1220805856.db2.gz GUQAMIYPFRMASJ-FQEVSTJZSA-N 2 0 330.520 2.402 20 10 EECDRP Cc1cc(C)c(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001231850227 1303930662 /nfs/dbraw/zinc/93/06/62/1303930662.db2.gz MOXHRNQEBYWAPN-UHFFFAOYSA-N 2 0 331.504 2.468 20 10 EECDRP Cc1cc(N2CC[NH+](Cc3ccc(N(C)C)cc3O)CC2)cc[nH+]1 ZINC001232841787 1304268692 /nfs/dbraw/zinc/26/86/92/1304268692.db2.gz SBPHXLUOPOOZDB-UHFFFAOYSA-N 2 0 326.444 2.484 20 10 EECDRP CC[NH+]1CCN(c2ccc(O[C@H]3C[C@@H]4CC(=O)C[C@H]3[N@@H+]4C)cc2)CC1 ZINC001234657103 1305002623 /nfs/dbraw/zinc/00/26/23/1305002623.db2.gz BBCCYACXQUGQTJ-DBVUQKKJSA-N 2 0 343.471 2.012 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@]1(C)O ZINC001236932533 1305735605 /nfs/dbraw/zinc/73/56/05/1305735605.db2.gz RHTJXZBZNSOQIM-BEFAXECRSA-N 2 0 335.467 2.170 20 10 EECDRP [NH3+][C@H](c1ccccc1O)[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC001246342429 1310284484 /nfs/dbraw/zinc/28/44/84/1310284484.db2.gz OQMDIEQFCRYZHM-MJXNMMHHSA-N 2 0 327.428 2.181 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](O)CC3)cc2)CC1 ZINC001140301966 1314859965 /nfs/dbraw/zinc/85/99/65/1314859965.db2.gz FZEYXCBFLOOYNX-XLIONFOSSA-N 2 0 331.504 2.421 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000841846245 1315622044 /nfs/dbraw/zinc/62/20/44/1315622044.db2.gz MVCVICWTKRGBBI-IRXDYDNUSA-N 2 0 346.862 2.222 20 10 EECDRP COc1cc(Br)cc(C[NH+]2CCC(C[NH3+])CC2)c1O ZINC000843047654 1315828935 /nfs/dbraw/zinc/82/89/35/1315828935.db2.gz UCHFVRJGCUUMLH-UHFFFAOYSA-N 2 0 329.238 2.334 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206640332 1323552517 /nfs/dbraw/zinc/55/25/17/1323552517.db2.gz IUKOGADDPPMHCW-MRXNPFEDSA-N 3 0 334.483 2.138 20 10 EECDRP CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001323980745 1333583341 /nfs/dbraw/zinc/58/33/41/1333583341.db2.gz YLPCUVOSCPOXJK-FQEVSTJZSA-N 2 0 331.504 2.279 20 10 EECDRP C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC001325321795 1333863237 /nfs/dbraw/zinc/86/32/37/1333863237.db2.gz ZSHNLKQWJBIVLT-WBVHZDCISA-N 2 0 334.483 2.055 20 10 EECDRP COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000848718630 1338746882 /nfs/dbraw/zinc/74/68/82/1338746882.db2.gz OORYTQUYAFTYRH-QZTJIDSGSA-N 2 0 346.519 2.067 20 10 EECDRP CC(C)c1ccc(O)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC001575858800 1343904993 /nfs/dbraw/zinc/90/49/93/1343904993.db2.gz PTRSPIGYWCRIOY-QGZVFWFLSA-N 2 0 333.476 2.335 20 10 EECDRP COc1ccc(O)c(C[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c1 ZINC001579230580 1403780270 /nfs/dbraw/zinc/78/02/70/1403780270.db2.gz SAHGBXPJXNZJRQ-UHFFFAOYSA-N 2 0 341.455 2.096 20 10 EECDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895139 785051636 /nfs/dbraw/zinc/05/16/36/785051636.db2.gz RISGZAUFHFRYKL-CRAIPNDOSA-N 2 0 335.467 2.394 20 10 EECDRP COc1ccc(O)c(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000290062666 464105997 /nfs/dbraw/zinc/10/59/97/464105997.db2.gz FIBPUFBBLUVJQE-UHFFFAOYSA-N 2 0 345.443 2.416 20 10 EECDRP CN(C)[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000771822824 577232820 /nfs/dbraw/zinc/23/28/20/577232820.db2.gz JLFQKJBQWKBYEZ-IBGZPJMESA-N 2 0 342.487 2.424 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000763332793 577719305 /nfs/dbraw/zinc/71/93/05/577719305.db2.gz GMMNVFNHOMWGOR-AEFFLSMTSA-N 2 0 347.503 2.167 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000891247190 676241537 /nfs/dbraw/zinc/24/15/37/676241537.db2.gz GVGPETCXJUNYRF-IBGZPJMESA-N 2 0 346.519 2.203 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001022976596 678884258 /nfs/dbraw/zinc/88/42/58/678884258.db2.gz BDPNFMJDSOIUEL-OKZBNKHCSA-N 2 0 345.487 2.082 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCO[C@@H]3CCCCO3)cc2)CC1 ZINC000894798178 683097666 /nfs/dbraw/zinc/09/76/66/683097666.db2.gz CDGWRDMTMPJGLB-LJQANCHMSA-N 2 0 333.476 2.071 20 10 EECDRP Cc1ccc(O)c(C[N@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001272622795 1190936185 /nfs/dbraw/zinc/93/61/85/1190936185.db2.gz RMIIKCHRCVQQOX-FQEVSTJZSA-N 2 0 345.487 2.219 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cc2)CC1 ZINC000858246309 1294060099 /nfs/dbraw/zinc/06/00/99/1294060099.db2.gz ZWUNEJCDNJPPCQ-IBGZPJMESA-N 3 0 330.520 2.260 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)cc1C ZINC001228377453 1302232292 /nfs/dbraw/zinc/23/22/92/1302232292.db2.gz SEYFWODVFJPWRX-QZTJIDSGSA-N 2 0 347.503 2.472 20 10 EECDRP CC(C)C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236475905 1305586366 /nfs/dbraw/zinc/58/63/66/1305586366.db2.gz TYYIWLJJXQLYTD-LJQANCHMSA-N 3 0 346.519 2.012 20 10 EECDRP COc1cc(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393033 1305916734 /nfs/dbraw/zinc/91/67/34/1305916734.db2.gz QIRVVQWUABQFSP-WBVHZDCISA-N 2 0 333.476 2.036 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139254648 1314722322 /nfs/dbraw/zinc/72/23/22/1314722322.db2.gz KKVCBBICWGMNTB-IBGZPJMESA-N 2 0 334.460 2.465 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(COC4)CC3)cc2)CC1 ZINC001140300925 1314858864 /nfs/dbraw/zinc/85/88/64/1314858864.db2.gz WFFKMSVPVHOVHF-UHFFFAOYSA-N 2 0 329.488 2.441 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@](C)(O)C3)cc2)CC1 ZINC001140302527 1314861074 /nfs/dbraw/zinc/86/10/74/1314861074.db2.gz SZPFUSGRXYUIGG-YLJYHZDGSA-N 2 0 331.504 2.421 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)CC1 ZINC000843045808 1315827961 /nfs/dbraw/zinc/82/79/61/1315827961.db2.gz KOMVBPSTWIVNRF-OAQYLSRUSA-N 3 0 342.531 2.402 20 10 EECDRP CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001100684756 1338637653 /nfs/dbraw/zinc/63/76/53/1338637653.db2.gz NNQALCJVBQBIFO-ABHNRTSZSA-N 2 0 347.503 2.328 20 10 EECDRP C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[NH+]1CCCCCC1 ZINC000832274385 1372422484 /nfs/dbraw/zinc/42/24/84/1372422484.db2.gz SVCODSSUYQFIPZ-CRAIPNDOSA-N 2 0 332.492 2.133 20 10 EECDRP CCC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2C1 ZINC001140286734 1372556564 /nfs/dbraw/zinc/55/65/64/1372556564.db2.gz CLPXSZHMMDNRFH-RTBURBONSA-N 2 0 343.515 2.421 20 10 EECDRP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1O ZINC000817982049 785132222 /nfs/dbraw/zinc/13/22/22/785132222.db2.gz PIJBXBZMFIBQSB-CMPLNLGQSA-N 2 0 329.238 2.184 20 10 EECDRP CC(C)[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000844163287 788880742 /nfs/dbraw/zinc/88/07/42/788880742.db2.gz XKJTVYVZPCUVGI-OALUTQOASA-N 2 0 346.519 2.379 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000793214404 810189825 /nfs/dbraw/zinc/18/98/25/810189825.db2.gz OCHFFUJCQOAQLH-JXFKEZNVSA-N 2 0 329.488 2.438 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(C3)CCCOC4)cc2)CC1 ZINC000793619644 810440867 /nfs/dbraw/zinc/44/08/67/810440867.db2.gz JLHVETMKUKUGAV-FQEVSTJZSA-N 2 0 329.488 2.441 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823466 577232839 /nfs/dbraw/zinc/23/28/39/577232839.db2.gz CWARXCJOVSBXBV-UYAOXDASSA-N 3 0 328.504 2.155 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1C ZINC000969956511 675343457 /nfs/dbraw/zinc/34/34/57/675343457.db2.gz XOJCFUBKSRPLBF-MAUKXSAKSA-N 2 0 345.487 2.036 20 10 EECDRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852421 1201775154 /nfs/dbraw/zinc/77/51/54/1201775154.db2.gz PJYXRGVOYWPQIA-MRXNPFEDSA-N 2 0 346.519 2.221 20 10 EECDRP C[NH+]1CCN(c2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2)CC1 ZINC000881854218 1201775713 /nfs/dbraw/zinc/77/57/13/1201775713.db2.gz XMJIEWJFKKHPHV-UHFFFAOYSA-N 2 0 349.438 2.016 20 10 EECDRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(F)ccc3O)(C1)CCC2 ZINC001275909451 1205581357 /nfs/dbraw/zinc/58/13/57/1205581357.db2.gz ZHOHDTBSKIOTNW-MOPGFXCFSA-N 2 0 349.450 2.144 20 10 EECDRP Cn1ccnc1[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000796466922 1218472120 /nfs/dbraw/zinc/47/21/20/1218472120.db2.gz XGKOUGYAJRLXRA-LJQANCHMSA-N 2 0 339.487 2.413 20 10 EECDRP CN(C)c1cc(F)c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1F ZINC000858093604 1294004501 /nfs/dbraw/zinc/00/45/01/1294004501.db2.gz FFNLNUQXBDGLQG-UHFFFAOYSA-N 2 0 340.462 2.146 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@]4(C3)CCCC[NH2+]4)c(F)c2)CC1 ZINC001222434548 1299574028 /nfs/dbraw/zinc/57/40/28/1299574028.db2.gz JRGRJYCOOQNGTL-FQEVSTJZSA-N 2 0 346.494 2.296 20 10 EECDRP C[NH+](C)CCN1CC[N@H+](Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233287003 1304417265 /nfs/dbraw/zinc/41/72/65/1304417265.db2.gz RPHOQBNXDZXEPZ-UHFFFAOYSA-N 2 0 347.503 2.286 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235420771 1305224354 /nfs/dbraw/zinc/22/43/54/1305224354.db2.gz ASBBNAPGIZJELO-JKSUJKDBSA-N 3 0 345.487 2.086 20 10 EECDRP COC(=O)c1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001236322496 1305559723 /nfs/dbraw/zinc/55/97/23/1305559723.db2.gz ZATLWNNOAVQEFB-GASCZTMLSA-N 2 0 341.455 2.396 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC4(COC4)C3)c(F)c2)CC1 ZINC001236935265 1305736552 /nfs/dbraw/zinc/73/65/52/1305736552.db2.gz HFBINUVAZPGQQX-UHFFFAOYSA-N 2 0 333.451 2.190 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256107 1314722142 /nfs/dbraw/zinc/72/21/42/1314722142.db2.gz UCWPKCIWVKXMEA-CRAIPNDOSA-N 2 0 334.460 2.463 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)[C@H]3CO)cc2)CC1 ZINC001140302659 1314861108 /nfs/dbraw/zinc/86/11/08/1314861108.db2.gz WZMDFGDSXHTAEN-FXAWDEMLSA-N 2 0 331.504 2.421 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2F)CC1 ZINC000843343174 1315894421 /nfs/dbraw/zinc/89/44/21/1315894421.db2.gz VZFAVAAPMFCKBE-GVDBMIGSSA-N 2 0 347.478 2.265 20 10 EECDRP OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000843343116 1315894561 /nfs/dbraw/zinc/89/45/61/1315894561.db2.gz SWTYOTIQTFVIAW-HSALFYBXSA-N 2 0 343.515 2.373 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(OC)c1 ZINC001205219436 1322317003 /nfs/dbraw/zinc/31/70/03/1322317003.db2.gz CXTCYDNKVSPVNP-LJQANCHMSA-N 2 0 335.492 2.217 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC001308195408 1331571108 /nfs/dbraw/zinc/57/11/08/1331571108.db2.gz CFPIUMCYRFXVAA-SFHVURJKSA-N 3 0 328.504 2.012 20 10 EECDRP COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000848718634 1338746860 /nfs/dbraw/zinc/74/68/60/1338746860.db2.gz OORYTQUYAFTYRH-ZWKOTPCHSA-N 2 0 346.519 2.067 20 10 EECDRP CCc1cccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1O ZINC000848893987 1338796233 /nfs/dbraw/zinc/79/62/33/1338796233.db2.gz DMNQBXCBKRFECP-UHFFFAOYSA-N 2 0 340.471 2.391 20 10 EECDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341214 1372386015 /nfs/dbraw/zinc/38/60/15/1372386015.db2.gz UMYTXOAULPSYDB-AEFFLSMTSA-N 2 0 341.499 2.475 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)cc1C ZINC001131790025 783222838 /nfs/dbraw/zinc/22/28/38/783222838.db2.gz DGXWDFQGKPGWBD-IBGZPJMESA-N 2 0 345.487 2.084 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC001147834515 791992233 /nfs/dbraw/zinc/99/22/33/791992233.db2.gz LAUCDDCXEDMDJN-ROUUACIJSA-N 2 0 347.503 2.330 20 10 EECDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)CC1 ZINC000119593620 462913728 /nfs/dbraw/zinc/91/37/28/462913728.db2.gz CYOXQFIKFXSJRI-QGZVFWFLSA-N 2 0 334.483 2.104 20 10 EECDRP CCOc1cccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000236939915 464241521 /nfs/dbraw/zinc/24/15/21/464241521.db2.gz HGHUENRCAPCVAF-QGZVFWFLSA-N 2 0 335.492 2.153 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374254137 467034630 /nfs/dbraw/zinc/03/46/30/467034630.db2.gz LBHQIOYJWUWOKZ-PXNSSMCTSA-N 2 0 330.520 2.210 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccc(O)cc3)cc2)CC1 ZINC000771819963 577232638 /nfs/dbraw/zinc/23/26/38/577232638.db2.gz ZFRBKFZXYYGUBE-UHFFFAOYSA-N 2 0 325.456 2.476 20 10 EECDRP COC(=O)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000771852592 577234376 /nfs/dbraw/zinc/23/43/76/577234376.db2.gz IFAQFRJJDWAAEC-UHFFFAOYSA-N 2 0 343.427 2.108 20 10 EECDRP CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775711906 577443368 /nfs/dbraw/zinc/44/33/68/577443368.db2.gz KBVLHNOTXOUWRS-QZTJIDSGSA-N 2 0 330.520 2.353 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000775714150 577443480 /nfs/dbraw/zinc/44/34/80/577443480.db2.gz MWFHMXRWRDQNQU-HXUWFJFHSA-N 3 0 342.531 2.356 20 10 EECDRP COc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001275278305 1205296847 /nfs/dbraw/zinc/29/68/47/1205296847.db2.gz GXEKFNRBLQPAFR-FQEVSTJZSA-N 2 0 347.503 2.250 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001045311691 1233658352 /nfs/dbraw/zinc/65/83/52/1233658352.db2.gz OODDAOLAYXTFOE-MSOLQXFVSA-N 2 0 345.487 2.036 20 10 EECDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(O)cccc1OC(F)(F)F ZINC001237111140 1305796280 /nfs/dbraw/zinc/79/62/80/1305796280.db2.gz OJLXOMBNCYYZGU-UHFFFAOYSA-N 2 0 349.397 2.216 20 10 EECDRP Fc1cccc2c1C[C@H]([NH2+]Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001246173722 1310253914 /nfs/dbraw/zinc/25/39/14/1310253914.db2.gz MBDUPZKKTSYDJZ-QGZVFWFLSA-N 2 0 325.431 2.492 20 10 EECDRP Cc1ccc(C)c(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c1O ZINC001140184262 1314830003 /nfs/dbraw/zinc/83/00/03/1314830003.db2.gz PNBREQWLUUMZQS-UHFFFAOYSA-N 2 0 345.487 2.171 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC4(COC4)C3)cc2)CC1 ZINC001140301883 1314860457 /nfs/dbraw/zinc/86/04/57/1314860457.db2.gz CDOHIJULLJJJRF-UHFFFAOYSA-N 2 0 329.488 2.441 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1O ZINC000841084622 1315470840 /nfs/dbraw/zinc/47/08/40/1315470840.db2.gz MBXRMDSUKQQDOP-BXKDBHETSA-N 2 0 329.238 2.380 20 10 EECDRP Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841086121 1315471455 /nfs/dbraw/zinc/47/14/55/1315471455.db2.gz MPRQCYXJDKVZQV-LJQANCHMSA-N 2 0 342.439 2.439 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841845872 1315622115 /nfs/dbraw/zinc/62/21/15/1315622115.db2.gz HMARYBSVHLDPBZ-MOPGFXCFSA-N 2 0 340.471 2.349 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2F)CC1 ZINC000843343175 1315894501 /nfs/dbraw/zinc/89/45/01/1315894501.db2.gz VZFAVAAPMFCKBE-IXDOHACOSA-N 2 0 347.478 2.265 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157435089 1318638251 /nfs/dbraw/zinc/63/82/51/1318638251.db2.gz RGRDMVBKZCDFOY-WMZOPIPTSA-N 2 0 345.487 2.076 20 10 EECDRP COC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3O)CC2)C1 ZINC001203560894 1321912237 /nfs/dbraw/zinc/91/22/37/1321912237.db2.gz JVTOXGCATFTQSZ-INIZCTEOSA-N 2 0 332.444 2.242 20 10 EECDRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000848722283 1338748118 /nfs/dbraw/zinc/74/81/18/1338748118.db2.gz MPHDXMXIMWOQGR-KGLIPLIRSA-N 2 0 325.403 2.161 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001755693590 1407739284 /nfs/dbraw/zinc/73/92/84/1407739284.db2.gz QOEALVGHJZIWDB-WMZOPIPTSA-N 2 0 347.503 2.423 20 10 EECDRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703917 783320248 /nfs/dbraw/zinc/32/02/48/783320248.db2.gz RTDMMRLQKLIOIH-WIYYLYMNSA-N 2 0 342.531 2.497 20 10 EECDRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000816642779 784164532 /nfs/dbraw/zinc/16/45/32/784164532.db2.gz KRATTZVVLDIWQU-FQEVSTJZSA-N 2 0 329.488 2.441 20 10 EECDRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935372 785079937 /nfs/dbraw/zinc/07/99/37/785079937.db2.gz NNZZDTRMYWQHOZ-CZUORRHYSA-N 2 0 325.403 2.018 20 10 EECDRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000180923708 464419369 /nfs/dbraw/zinc/41/93/69/464419369.db2.gz LUPUOTBAWVJSDF-UHFFFAOYSA-N 2 0 345.418 2.113 20 10 EECDRP CCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000370704794 466972594 /nfs/dbraw/zinc/97/25/94/466972594.db2.gz BKXRUWWZYLRTMK-FUHWJXTLSA-N 2 0 347.503 2.249 20 10 EECDRP CCN1CCC([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775648070 577441824 /nfs/dbraw/zinc/44/18/24/577441824.db2.gz PCZGUYFFILQYBO-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP CN(C)c1ccc(C[NH2+]CCOCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000794727470 1197899582 /nfs/dbraw/zinc/89/95/82/1197899582.db2.gz RWNXXZBQSOAXLD-UHFFFAOYSA-N 2 0 333.398 2.439 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C ZINC001134758963 1199795049 /nfs/dbraw/zinc/79/50/49/1199795049.db2.gz DAWTWJMUACRLTD-QGZVFWFLSA-N 2 0 347.503 2.474 20 10 EECDRP CC(C)(O)C[NH+]1CCC([NH2+]CCCSc2nccs2)CC1 ZINC000877061901 1199856694 /nfs/dbraw/zinc/85/66/94/1199856694.db2.gz UHCOOGXBWOBUMX-UHFFFAOYSA-N 2 0 329.535 2.450 20 10 EECDRP Cc1cccc(C[NH+]2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)c1O ZINC001276079704 1205762861 /nfs/dbraw/zinc/76/28/61/1205762861.db2.gz DVBSYMLKIGPIMK-UHFFFAOYSA-N 2 0 345.487 2.077 20 10 EECDRP [NH3+][C@H](CC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1ccccc1O ZINC001219818944 1298156241 /nfs/dbraw/zinc/15/62/41/1298156241.db2.gz VEGVLTOTDRDPMA-MDZRGWNJSA-N 2 0 325.412 2.002 20 10 EECDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001276837839 1299852872 /nfs/dbraw/zinc/85/28/72/1299852872.db2.gz PZSYOAOOEKXGEG-GJZGRUSLSA-N 2 0 341.858 2.395 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC(C2CC[NH2+]CC2)CC1 ZINC001235700983 1305340584 /nfs/dbraw/zinc/34/05/84/1305340584.db2.gz AJSZNKQNWFUZNG-UHFFFAOYSA-N 3 0 342.531 2.308 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[N@H+](C)[C@H]4C3)c(F)c2)CC1 ZINC001236948906 1305743343 /nfs/dbraw/zinc/74/33/43/1305743343.db2.gz YDKSAIUAPOZVHV-XLIONFOSSA-N 2 0 346.494 2.104 20 10 EECDRP CCCC[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177138 1310253471 /nfs/dbraw/zinc/25/34/71/1310253471.db2.gz ZGRDACIGISWNCP-RBUKOAKNSA-N 3 0 330.520 2.497 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])[NH+](C)C)cc1 ZINC001122328584 1310261613 /nfs/dbraw/zinc/26/16/13/1310261613.db2.gz PWWUZZCFZBXXQV-BJLQDIEVSA-N 2 0 346.519 2.379 20 10 EECDRP Cc1c(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c2ccccc2n1C ZINC001138258491 1314582851 /nfs/dbraw/zinc/58/28/51/1314582851.db2.gz SZMARDPTVSOBCD-UHFFFAOYSA-N 2 0 342.487 2.083 20 10 EECDRP CCOCC[NH+](CCOCC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412384 1314741525 /nfs/dbraw/zinc/74/15/25/1314741525.db2.gz JERGRJZGPZEPSJ-UHFFFAOYSA-N 2 0 349.519 2.313 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC[N@H+](CC)CC3)cc2)CC1 ZINC001140301070 1314858927 /nfs/dbraw/zinc/85/89/27/1314858927.db2.gz XXRSRUSXPCGOMT-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001140304577 1314862097 /nfs/dbraw/zinc/86/20/97/1314862097.db2.gz VNDXHYBVKPSMLE-SFHVURJKSA-N 2 0 345.487 2.214 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000840932554 1315439648 /nfs/dbraw/zinc/43/96/48/1315439648.db2.gz RYAZRNWNIWEZJF-UHFFFAOYSA-N 2 0 346.519 2.093 20 10 EECDRP CCN(Cc1ccccc1)c1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000841093074 1315473383 /nfs/dbraw/zinc/47/33/83/1315473383.db2.gz QJZSGUKQZZZFDF-HXUWFJFHSA-N 2 0 327.472 2.465 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CC23CCCC3)[NH+](C)C)cc1 ZINC001263260293 1322449054 /nfs/dbraw/zinc/44/90/54/1322449054.db2.gz WXEDMZUNKIADNP-QZTJIDSGSA-N 2 0 344.503 2.004 20 10 EECDRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205570084 1323200545 /nfs/dbraw/zinc/20/05/45/1323200545.db2.gz FIWNNHUUCISXST-GOSISDBHSA-N 2 0 339.430 2.315 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205651418 1323229819 /nfs/dbraw/zinc/22/98/19/1323229819.db2.gz DZJDRJCUYNNTRN-IAGOWNOFSA-N 3 0 348.510 2.384 20 10 EECDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205726491 1323271137 /nfs/dbraw/zinc/27/11/37/1323271137.db2.gz SSMSNCPXOFWTAT-OAHLLOKOSA-N 2 0 348.365 2.009 20 10 EECDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC001331499213 1335024063 /nfs/dbraw/zinc/02/40/63/1335024063.db2.gz RFEFZBHTNXHCOO-UHFFFAOYSA-N 2 0 341.446 2.356 20 10 EECDRP COc1cccc(O)c1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741318 783348915 /nfs/dbraw/zinc/34/89/15/783348915.db2.gz MTSQSHUOGCBRRD-INIZCTEOSA-N 2 0 333.476 2.001 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2F)CC1 ZINC000817902291 785055381 /nfs/dbraw/zinc/05/53/81/785055381.db2.gz MKIQPJLDXNJAFH-QFBILLFUSA-N 3 0 348.510 2.445 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3CCOC3)cc2F)CC1 ZINC000155265443 462868254 /nfs/dbraw/zinc/86/82/54/462868254.db2.gz UFKDCPNMBLIBII-NVXWUHKLSA-N 2 0 335.467 2.482 20 10 EECDRP Cc1cc(O)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1C ZINC000289408188 464077448 /nfs/dbraw/zinc/07/74/48/464077448.db2.gz HNEJPXSQNBAVDI-UHFFFAOYSA-N 2 0 331.504 2.468 20 10 EECDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(OC)c1O ZINC000289487023 464081206 /nfs/dbraw/zinc/08/12/06/464081206.db2.gz RFICQCKERREIOZ-KRWDZBQOSA-N 2 0 335.492 2.249 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C4OCCO4)CC3)cc2)CC1 ZINC000775674711 577442451 /nfs/dbraw/zinc/44/24/51/577442451.db2.gz KUIHBRXROGJRNH-UHFFFAOYSA-N 2 0 345.487 2.023 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000754740191 577811827 /nfs/dbraw/zinc/81/18/27/577811827.db2.gz KJQRRPIUCDEIFX-IXDOHACOSA-N 2 0 334.460 2.393 20 10 EECDRP CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000924994888 682335182 /nfs/dbraw/zinc/33/51/82/682335182.db2.gz BJWXITZILFGEIF-SJLPKXTDSA-N 2 0 335.467 2.482 20 10 EECDRP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132738554 1199967332 /nfs/dbraw/zinc/96/73/32/1199967332.db2.gz ICMWAHZEDMPUOD-SFHVURJKSA-N 2 0 347.503 2.331 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@@H]3CC[NH2+]C3(C)C)cc2F)CC1 ZINC000925556540 1206127583 /nfs/dbraw/zinc/12/75/83/1206127583.db2.gz JZSHCXLFPDWIPJ-GOSISDBHSA-N 2 0 334.483 2.198 20 10 EECDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC000969077079 1221788047 /nfs/dbraw/zinc/78/80/47/1221788047.db2.gz KDFDTFODQMYDBT-IAGOWNOFSA-N 2 0 333.476 2.034 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)cc1C ZINC001018972797 1228594967 /nfs/dbraw/zinc/59/49/67/1228594967.db2.gz PPIXGUOKFKEAJI-KRWDZBQOSA-N 2 0 345.487 2.178 20 10 EECDRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800900187 1234773379 /nfs/dbraw/zinc/77/33/79/1234773379.db2.gz PDOPJOFSDJQBEP-LJQANCHMSA-N 2 0 339.487 2.339 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1C ZINC001135102847 1278140693 /nfs/dbraw/zinc/14/06/93/1278140693.db2.gz PBMIKYMGXNQEEG-MSOLQXFVSA-N 2 0 345.487 2.226 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235433084 1305226991 /nfs/dbraw/zinc/22/69/91/1305226991.db2.gz ZKPNIKJJMVXVTE-WOJBJXKFSA-N 3 0 342.531 2.308 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CO)CC3)c(F)c2)CC1 ZINC001236930923 1305733842 /nfs/dbraw/zinc/73/38/42/1305733842.db2.gz HCORDBHTNUFAAC-MRXNPFEDSA-N 2 0 335.467 2.172 20 10 EECDRP C[N@H+]1C[C@@H]2C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138339437 1314602504 /nfs/dbraw/zinc/60/25/04/1314602504.db2.gz FVEVWONSPQJHOO-CALCHBBNSA-N 2 0 327.472 2.084 20 10 EECDRP CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001140304576 1314862370 /nfs/dbraw/zinc/86/23/70/1314862370.db2.gz VNDXHYBVKPSMLE-GOSISDBHSA-N 2 0 345.487 2.214 20 10 EECDRP CCC[NH+](CCC)CCN1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141161537 1315051951 /nfs/dbraw/zinc/05/19/51/1315051951.db2.gz UNQLFWFXIOCCGS-UHFFFAOYSA-N 2 0 335.492 2.337 20 10 EECDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]21 ZINC000843060240 1315832422 /nfs/dbraw/zinc/83/24/22/1315832422.db2.gz YYHMFBWVUUSZQV-JFIYKMOQSA-N 2 0 333.451 2.222 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205558870 1323194920 /nfs/dbraw/zinc/19/49/20/1323194920.db2.gz KQXONKJFVOTMNB-HXUWFJFHSA-N 3 0 348.510 2.481 20 10 EECDRP O=C(C[NH2+]Cc1cc(Cl)ccc1O)NCC[NH+]1CCCCCC1 ZINC000816620945 784156859 /nfs/dbraw/zinc/15/68/59/784156859.db2.gz SAPVUZLBPZMZQQ-UHFFFAOYSA-N 2 0 339.867 2.127 20 10 EECDRP C[NH+](C)C1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000817415988 784767735 /nfs/dbraw/zinc/76/77/35/784767735.db2.gz FXDXZPGAQGCWAP-UHFFFAOYSA-N 3 0 330.520 2.401 20 10 EECDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817936560 785081417 /nfs/dbraw/zinc/08/14/17/785081417.db2.gz UGENHROBXIZMEJ-SUMWQHHRSA-N 2 0 339.430 2.279 20 10 EECDRP COc1cccc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000846148102 790064383 /nfs/dbraw/zinc/06/43/83/790064383.db2.gz XBXJOOFEDAXNMM-GJZGRUSLSA-N 2 0 333.476 2.220 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1C ZINC001127256598 794421877 /nfs/dbraw/zinc/42/18/77/794421877.db2.gz PCNVBJKCQFFPNK-MSOLQXFVSA-N 2 0 345.487 2.084 20 10 EECDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185345202 463806447 /nfs/dbraw/zinc/80/64/47/463806447.db2.gz IZFHGCLBFDXUGD-JKSUJKDBSA-N 2 0 335.492 2.325 20 10 EECDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113335764 529148339 /nfs/dbraw/zinc/14/83/39/529148339.db2.gz LVPBEVLPPWFPSS-CQSZACIVSA-N 2 0 325.884 2.409 20 10 EECDRP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001026916520 685314899 /nfs/dbraw/zinc/31/48/99/685314899.db2.gz JAXLHRKZNKKIJG-ZWKOTPCHSA-N 2 0 347.503 2.282 20 10 EECDRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1SC ZINC000895607544 684661198 /nfs/dbraw/zinc/66/11/98/684661198.db2.gz OMJKJRANNJCBAX-GUDVDZBRSA-N 2 0 349.544 2.437 20 10 EECDRP N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000904462212 694395314 /nfs/dbraw/zinc/39/53/14/694395314.db2.gz SDKCDECARDSXIB-UYAOXDASSA-N 2 0 341.430 2.377 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1C ZINC000989798829 692331249 /nfs/dbraw/zinc/33/12/49/692331249.db2.gz GLJKYIJQPQODCL-FUHWJXTLSA-N 2 0 345.487 2.178 20 10 EECDRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000879648819 1201193845 /nfs/dbraw/zinc/19/38/45/1201193845.db2.gz AUIREWPGXQGTMX-CRAIPNDOSA-N 2 0 341.455 2.462 20 10 EECDRP COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000781528310 1303813850 /nfs/dbraw/zinc/81/38/50/1303813850.db2.gz VJBMQQINGCZXFK-IBGZPJMESA-N 2 0 345.487 2.356 20 10 EECDRP Nc1cccc2c1CC[N@H+](Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001236365467 1305569772 /nfs/dbraw/zinc/56/97/72/1305569772.db2.gz KUQCAFLVKAQCKH-UHFFFAOYSA-N 2 0 325.412 2.015 20 10 EECDRP CN1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C2(CCCC2)C1 ZINC001236842889 1305697613 /nfs/dbraw/zinc/69/76/13/1305697613.db2.gz BYMRAPTYGVIADC-UHFFFAOYSA-N 2 0 328.504 2.156 20 10 EECDRP CC[NH+](CC)CCN(C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236931445 1305733456 /nfs/dbraw/zinc/73/34/56/1305733456.db2.gz KOFYVEQVCMHLRV-UHFFFAOYSA-N 2 0 336.499 2.351 20 10 EECDRP CC[N@@H+]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236933073 1305735626 /nfs/dbraw/zinc/73/56/26/1305735626.db2.gz UNMMKBWMLYICOI-UHFFFAOYSA-N 2 0 334.483 2.105 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](F)(CO)CC3)cc2)CC1 ZINC001139408217 1314740028 /nfs/dbraw/zinc/74/00/28/1314740028.db2.gz JPUMQZFQELCBKN-LJQANCHMSA-N 2 0 335.467 2.125 20 10 EECDRP Oc1ccc(F)cc1C[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001140062652 1314806534 /nfs/dbraw/zinc/80/65/34/1314806534.db2.gz CWCIFBMPIZIZSP-UHFFFAOYSA-N 2 0 344.434 2.382 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1C ZINC001166010217 1321635386 /nfs/dbraw/zinc/63/53/86/1321635386.db2.gz LPBSNDMYXHBHOY-GOSISDBHSA-N 2 0 335.492 2.186 20 10 EECDRP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC001203596889 1321919802 /nfs/dbraw/zinc/91/98/02/1321919802.db2.gz RXLAAKGSUXIRMW-UHFFFAOYSA-N 2 0 335.492 2.250 20 10 EECDRP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC001308204582 1331572901 /nfs/dbraw/zinc/57/29/01/1331572901.db2.gz ACRRMGMCQRUGOM-UXHICEINSA-N 2 0 328.504 2.155 20 10 EECDRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703915 783320459 /nfs/dbraw/zinc/32/04/59/783320459.db2.gz RTDMMRLQKLIOIH-RXVVDRJESA-N 2 0 342.531 2.497 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[NH+]2CCCC2)cc1C ZINC001035126221 783847962 /nfs/dbraw/zinc/84/79/62/783847962.db2.gz VKZXINVSIBOQBE-GOSISDBHSA-N 2 0 345.487 2.180 20 10 EECDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1C ZINC000817971832 785122142 /nfs/dbraw/zinc/12/21/42/785122142.db2.gz HPDJSAVYGYCGNX-HIFRSBDPSA-N 2 0 345.409 2.496 20 10 EECDRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1C ZINC000997299601 789592630 /nfs/dbraw/zinc/59/26/30/789592630.db2.gz PXTNYQBMHSPXCV-KRWDZBQOSA-N 2 0 345.487 2.036 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000754740187 577811823 /nfs/dbraw/zinc/81/18/23/577811823.db2.gz KJQRRPIUCDEIFX-BRWVUGGUSA-N 2 0 334.460 2.393 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC000983322931 682276026 /nfs/dbraw/zinc/27/60/26/682276026.db2.gz NYOCGJBRHMUUBP-BZSNNMDCSA-N 2 0 345.487 2.082 20 10 EECDRP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001027070090 686116657 /nfs/dbraw/zinc/11/66/57/686116657.db2.gz JAXLHRKZNKKIJG-ROUUACIJSA-N 2 0 347.503 2.282 20 10 EECDRP COc1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000866697152 1201582725 /nfs/dbraw/zinc/58/27/25/1201582725.db2.gz HPDQMNZJJSNOQV-MRXNPFEDSA-N 2 0 333.476 2.216 20 10 EECDRP CN(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NCC[NH+](C)C)C3)c(O)c1 ZINC001275585096 1205430900 /nfs/dbraw/zinc/43/09/00/1205430900.db2.gz NXECEEICVWNSRV-JLYLLQBASA-N 2 0 346.519 2.105 20 10 EECDRP COc1ccc(N(C)CC[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903768647 1241882071 /nfs/dbraw/zinc/88/20/71/1241882071.db2.gz OHUPJWOKRIZUCK-IBGZPJMESA-N 2 0 347.503 2.222 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001134767024 1278013559 /nfs/dbraw/zinc/01/35/59/1278013559.db2.gz PUVGYRGPIXILDN-SFHVURJKSA-N 2 0 347.503 2.472 20 10 EECDRP CC[NH+]1CCN(c2ccc(O[C@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC001218451059 1297667991 /nfs/dbraw/zinc/66/79/91/1297667991.db2.gz CDZABMAQHLTXEO-INIZCTEOSA-N 2 0 325.403 2.205 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314854 1299474057 /nfs/dbraw/zinc/47/40/57/1299474057.db2.gz JMROZPRTUDRZLD-FQEVSTJZSA-N 3 0 328.504 2.204 20 10 EECDRP COc1ccc(Br)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1O ZINC001231556732 1303844122 /nfs/dbraw/zinc/84/41/22/1303844122.db2.gz MNHXDZBFAIJTRE-PHIMTYICSA-N 2 0 341.249 2.157 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235433073 1305227016 /nfs/dbraw/zinc/22/70/16/1305227016.db2.gz ZKPNIKJJMVXVTE-UXHICEINSA-N 3 0 342.531 2.308 20 10 EECDRP COc1cc(CN2CC3(C2)C[C@@H](F)CS3)cc(C[NH+](C)C)c1O ZINC001139259136 1314723052 /nfs/dbraw/zinc/72/30/52/1314723052.db2.gz JNJZGDIRFOLZDS-CQSZACIVSA-N 2 0 340.464 2.492 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCCO[C@@H]4C3)cc2)CC1 ZINC001139408994 1314741017 /nfs/dbraw/zinc/74/10/17/1314741017.db2.gz RRAMHMRUYQIADJ-AZUAARDMSA-N 2 0 329.488 2.439 20 10 EECDRP COc1cccc(C[N@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1O ZINC001203590500 1321918502 /nfs/dbraw/zinc/91/85/02/1321918502.db2.gz ZWBVIJMMPJGKLH-HDICACEKSA-N 2 0 339.439 2.360 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2F)CC1 ZINC001261506377 1322116324 /nfs/dbraw/zinc/11/63/24/1322116324.db2.gz QGRCDACEEQYJQR-PXNSSMCTSA-N 2 0 346.494 2.138 20 10 EECDRP COc1ccc(Br)c(CN2CCC[C@H]([NH3+])CC2)c1O ZINC001205110640 1322287674 /nfs/dbraw/zinc/28/76/74/1322287674.db2.gz XMZIKJUUZGRAPS-JTQLQIEISA-N 2 0 329.238 2.477 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618025 1323217259 /nfs/dbraw/zinc/21/72/59/1323217259.db2.gz QRKUNJHHEYKLCO-PKOBYXMFSA-N 3 0 330.520 2.245 20 10 EECDRP C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205841428 1323317493 /nfs/dbraw/zinc/31/74/93/1323317493.db2.gz JYPXFRAEHVKMAR-YJBOKZPZSA-N 2 0 334.483 2.137 20 10 EECDRP Oc1cc(O)c(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)cc1O ZINC001276516915 1323905826 /nfs/dbraw/zinc/90/58/26/1323905826.db2.gz VPKQZLRKAMZHHY-UHFFFAOYSA-N 2 0 343.427 2.230 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001209455516 1324937568 /nfs/dbraw/zinc/93/75/68/1324937568.db2.gz UQCIUFMTXBCSQK-KRWDZBQOSA-N 2 0 333.476 2.036 20 10 EECDRP CN1CCN(c2ccc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cc2F)CC1 ZINC001326796266 1334160676 /nfs/dbraw/zinc/16/06/76/1334160676.db2.gz FKUZRYBBMYJHIN-QGZVFWFLSA-N 2 0 348.510 2.399 20 10 EECDRP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001755236118 1407244392 /nfs/dbraw/zinc/24/43/92/1407244392.db2.gz DNYUCVQXIQPBCC-HZPDHXFCSA-N 2 0 347.503 2.471 20 10 EECDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001755663769 1407713806 /nfs/dbraw/zinc/71/38/06/1407713806.db2.gz OCYVASZUOFVVMR-SJLPKXTDSA-N 2 0 347.503 2.424 20 10 EECDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934864 785080160 /nfs/dbraw/zinc/08/01/60/785080160.db2.gz KJTWZGVYDRFYCV-ZDUSSCGKSA-N 2 0 327.419 2.409 20 10 EECDRP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1O ZINC000817973253 785124113 /nfs/dbraw/zinc/12/41/13/785124113.db2.gz RTDKTKGVOXMWID-ZFWWWQNUSA-N 2 0 331.382 2.269 20 10 EECDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846144347 790073573 /nfs/dbraw/zinc/07/35/73/790073573.db2.gz IVGZHQLPVLFMBX-JKSUJKDBSA-N 2 0 335.492 2.325 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC001086047380 802012020 /nfs/dbraw/zinc/01/20/20/802012020.db2.gz OKLREMDWATWNSW-KSZLIROESA-N 2 0 345.487 2.082 20 10 EECDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)C1 ZINC000738214204 578004115 /nfs/dbraw/zinc/00/41/15/578004115.db2.gz OUHODVABIJFRSQ-QGZVFWFLSA-N 2 0 340.471 2.152 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1C ZINC000969844054 675246633 /nfs/dbraw/zinc/24/66/33/675246633.db2.gz CPOUUNFPKDHHGP-IEBWSBKVSA-N 2 0 347.503 2.280 20 10 EECDRP Cc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c(O)c1 ZINC001272767220 1193488585 /nfs/dbraw/zinc/48/85/85/1193488585.db2.gz YPSAPNWNEHYHKO-FQEVSTJZSA-N 2 0 345.487 2.219 20 10 EECDRP COc1ccc(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c(O)c1 ZINC001275275526 1205295324 /nfs/dbraw/zinc/29/53/24/1205295324.db2.gz KFNWEVNWXCWAEZ-UXHICEINSA-N 2 0 347.503 2.487 20 10 EECDRP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001275276076 1205295806 /nfs/dbraw/zinc/29/58/06/1205295806.db2.gz URJLFSRKDOTUCS-CALCHBBNSA-N 2 0 347.503 2.106 20 10 EECDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)C2)cc1 ZINC000925709342 1206145212 /nfs/dbraw/zinc/14/52/12/1206145212.db2.gz VBXMXOXPAPFNLF-KDDNCGOXSA-N 2 0 327.472 2.108 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C)CC[NH+](C)CC3)cc2)CC1 ZINC000779985637 1211958372 /nfs/dbraw/zinc/95/83/72/1211958372.db2.gz HCHBUYNTIQMYLS-UHFFFAOYSA-N 3 0 330.520 2.260 20 10 EECDRP Cc1cc(C)c(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276364642 1216755044 /nfs/dbraw/zinc/75/50/44/1216755044.db2.gz AYGZVJOAHJAOIB-UHFFFAOYSA-N 2 0 331.504 2.468 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001019325335 1228991485 /nfs/dbraw/zinc/99/14/85/1228991485.db2.gz WAWDLJAGQWCXMH-SFHVURJKSA-N 2 0 345.487 2.036 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001152480075 1285243055 /nfs/dbraw/zinc/24/30/55/1285243055.db2.gz MEMRKXGTSMTSID-IBGZPJMESA-N 2 0 347.503 2.330 20 10 EECDRP C[NH+](C)CCCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233454814 1304469771 /nfs/dbraw/zinc/46/97/71/1304469771.db2.gz KVUYMUPISALSPM-UHFFFAOYSA-N 2 0 345.409 2.480 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[NH2+][C@H]4C3)cc2)CC1 ZINC001235218333 1305154070 /nfs/dbraw/zinc/15/40/70/1305154070.db2.gz FSTWFURHQITRBB-QUCCMNQESA-N 2 0 328.504 2.012 20 10 EECDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(-c2ccccc2)c1O ZINC001236080430 1305496538 /nfs/dbraw/zinc/49/65/38/1305496538.db2.gz AHJPXGUVPPFQBV-UHFFFAOYSA-N 2 0 325.456 2.396 20 10 EECDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CCCC[C@H]1[NH3+] ZINC001236218870 1305537544 /nfs/dbraw/zinc/53/75/44/1305537544.db2.gz SYZQUSNLJYPDKX-MOPGFXCFSA-N 2 0 334.483 2.279 20 10 EECDRP C[NH+](C)C[C@@H]1CCCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938279 1305736960 /nfs/dbraw/zinc/73/69/60/1305736960.db2.gz LDJUPKBVEPIQHL-SFHVURJKSA-N 2 0 334.483 2.104 20 10 EECDRP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]2C1 ZINC001237057863 1305780858 /nfs/dbraw/zinc/78/08/58/1305780858.db2.gz GCMVWPYLNKQOIJ-BETUJISGSA-N 2 0 330.350 2.327 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246526603 1310332236 /nfs/dbraw/zinc/33/22/36/1310332236.db2.gz RDXZFCGEIGCZNZ-KBXCAEBGSA-N 2 0 329.488 2.316 20 10 EECDRP COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412061 1314741624 /nfs/dbraw/zinc/74/16/24/1314741624.db2.gz BXTRKIGKYHLTMM-WMZOPIPTSA-N 2 0 345.487 2.069 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841061527 1315465561 /nfs/dbraw/zinc/46/55/61/1315465561.db2.gz JQIUTPZJQCIPHO-JOYOIKCWSA-N 2 0 329.238 2.393 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC4CCN(CC4)C3)cc2)CC1 ZINC001254836353 1318201038 /nfs/dbraw/zinc/20/10/38/1318201038.db2.gz LEZGVXYHOOHDDO-LJQANCHMSA-N 2 0 328.504 2.012 20 10 EECDRP COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)c2c1 ZINC001205726699 1323270542 /nfs/dbraw/zinc/27/05/42/1323270542.db2.gz WVMNAXKNAQSSSP-IBGZPJMESA-N 2 0 330.428 2.230 20 10 EECDRP CN(C)c1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001308194904 1331570992 /nfs/dbraw/zinc/57/09/92/1331570992.db2.gz RIYWRWRKYQSUHQ-UHFFFAOYSA-N 2 0 339.487 2.189 20 10 EECDRP CC[NH+](CC)CCCN1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC001203679043 1368285663 /nfs/dbraw/zinc/28/56/63/1368285663.db2.gz YOKFXJPNCLBFLH-UHFFFAOYSA-N 2 0 335.492 2.250 20 10 EECDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895140 785052044 /nfs/dbraw/zinc/05/20/44/785052044.db2.gz RISGZAUFHFRYKL-MAUKXSAKSA-N 2 0 335.467 2.394 20 10 EECDRP C[C@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000817899955 785055776 /nfs/dbraw/zinc/05/57/76/785055776.db2.gz NRAMNLUEOLVWBB-GXTWGEPZSA-N 2 0 325.403 2.454 20 10 EECDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1C ZINC000817971833 785121824 /nfs/dbraw/zinc/12/18/24/785121824.db2.gz HPDJSAVYGYCGNX-UKRRQHHQSA-N 2 0 345.409 2.496 20 10 EECDRP Cc1cc(O)c(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1Cl ZINC000825108716 788441055 /nfs/dbraw/zinc/44/10/55/788441055.db2.gz ZARBIWRUWQISMV-UHFFFAOYSA-N 2 0 325.884 2.471 20 10 EECDRP COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001146396543 791233685 /nfs/dbraw/zinc/23/36/85/791233685.db2.gz ASXNVVGFPTWQBH-DLBZAZTESA-N 2 0 347.503 2.472 20 10 EECDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(F)ccc3O)CC2)CC1 ZINC000369891515 466759387 /nfs/dbraw/zinc/75/93/87/466759387.db2.gz FBTHNQVVKZZIEX-UHFFFAOYSA-N 2 0 335.467 2.381 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)cc1C ZINC000768466310 577556549 /nfs/dbraw/zinc/55/65/49/577556549.db2.gz YMILOJYCPOTOTA-AEFFLSMTSA-N 2 0 347.503 2.167 20 10 EECDRP CC(C)[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+](C)C ZINC000891253954 676250175 /nfs/dbraw/zinc/25/01/75/676250175.db2.gz VHGLRUAPNBQPNE-ROUUACIJSA-N 2 0 334.508 2.058 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC001022104097 676656104 /nfs/dbraw/zinc/65/61/04/676656104.db2.gz VFBOGRRJWQFDFL-NRSFXHEJSA-N 2 0 345.487 2.081 20 10 EECDRP COc1cc(Br)cc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420829 694394055 /nfs/dbraw/zinc/39/40/55/694394055.db2.gz HRQCKOMUTPZZNM-CMPLNLGQSA-N 2 0 341.249 2.205 20 10 EECDRP C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CC[NH+](C)CC1 ZINC000876690033 1199724447 /nfs/dbraw/zinc/72/44/47/1199724447.db2.gz FOBLJVDZYIGILJ-UHFFFAOYSA-N 2 0 331.504 2.421 20 10 EECDRP COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192787844 1210593797 /nfs/dbraw/zinc/59/37/97/1210593797.db2.gz OQFQVMJCAJZPDQ-MRXNPFEDSA-N 2 0 335.492 2.468 20 10 EECDRP C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CCC[NH3+] ZINC000852760353 1292189457 /nfs/dbraw/zinc/18/94/57/1292189457.db2.gz ZHKAKTUNKCGPRM-VQIMIIECSA-N 2 0 346.519 2.208 20 10 EECDRP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)cc1OC ZINC001236753139 1305659802 /nfs/dbraw/zinc/65/98/02/1305659802.db2.gz HGLABTPAWAOQJK-UHFFFAOYSA-N 2 0 343.427 2.435 20 10 EECDRP C[NH+]1CC2(C1)CC[NH+](Cc1cc(O)c(Br)cc1O)CC2 ZINC001236762332 1305665274 /nfs/dbraw/zinc/66/52/74/1305665274.db2.gz OFDJJZRKUUCPAQ-UHFFFAOYSA-N 2 0 341.249 2.388 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(COC4)CC3)c(F)c2)CC1 ZINC001236932527 1305735382 /nfs/dbraw/zinc/73/53/82/1305735382.db2.gz RCGCCDRSQYPAHL-UHFFFAOYSA-N 2 0 333.451 2.190 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@H]4C3)c(F)c2)CC1 ZINC001236943999 1305740348 /nfs/dbraw/zinc/74/03/48/1305740348.db2.gz YHKWTKPMTXXGNI-QFBILLFUSA-N 2 0 333.451 2.188 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@]1(C)CO ZINC001118667685 1308918029 /nfs/dbraw/zinc/91/80/29/1308918029.db2.gz FFIVEMNYKYFHSU-BEFAXECRSA-N 2 0 335.467 2.028 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC[C@]3(C)C(=O)OC)cc2)CC1 ZINC001140302100 1314860552 /nfs/dbraw/zinc/86/05/52/1314860552.db2.gz JTVZYGYMZGCTQQ-HXUWFJFHSA-N 2 0 345.487 2.356 20 10 EECDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)c(F)cc1O ZINC001142525068 1315650433 /nfs/dbraw/zinc/65/04/33/1315650433.db2.gz VWLFMJLWFTVEAX-UHFFFAOYSA-N 2 0 329.435 2.376 20 10 EECDRP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCN(C)C1 ZINC000843421379 1315911916 /nfs/dbraw/zinc/91/19/16/1315911916.db2.gz CRMBMNLTKMHRDC-HXUWFJFHSA-N 2 0 330.520 2.355 20 10 EECDRP CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001254083355 1317998214 /nfs/dbraw/zinc/99/82/14/1317998214.db2.gz VYMORSZOJJOLMD-VQTJNVASSA-N 2 0 330.520 2.401 20 10 EECDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205230744 1322323274 /nfs/dbraw/zinc/32/32/74/1322323274.db2.gz UQOSDAJCOPVUAD-HXUWFJFHSA-N 2 0 329.488 2.061 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003700 1323367269 /nfs/dbraw/zinc/36/72/69/1323367269.db2.gz LKMQFLVPYLWBAT-SJLPKXTDSA-N 2 0 331.504 2.455 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001755693586 1407738600 /nfs/dbraw/zinc/73/86/00/1407738600.db2.gz QOEALVGHJZIWDB-FUHWJXTLSA-N 2 0 347.503 2.423 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@H]3C[NH2+]CC[C@@H]3C)cc2F)CC1 ZINC000817902832 785055574 /nfs/dbraw/zinc/05/55/74/785055574.db2.gz YYHWDIYTSDOBFM-YJBOKZPZSA-N 2 0 334.483 2.055 20 10 EECDRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1O ZINC000817944491 785095420 /nfs/dbraw/zinc/09/54/20/785095420.db2.gz DWBMMFYEQDLZNT-AWEZNQCLSA-N 2 0 331.382 2.357 20 10 EECDRP Cc1ccc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1 ZINC000817971665 785121962 /nfs/dbraw/zinc/12/19/62/785121962.db2.gz GDDLMAYGFGKYQM-WFASDCNBSA-N 2 0 331.382 2.187 20 10 EECDRP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000817976957 785125569 /nfs/dbraw/zinc/12/55/69/785125569.db2.gz XOTFQCVSWQLZCP-KBXCAEBGSA-N 2 0 333.451 2.455 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)cc2)CC1 ZINC000824845884 788335928 /nfs/dbraw/zinc/33/59/28/788335928.db2.gz ODAJGCHVWSNYCF-LEWJYISDSA-N 2 0 343.515 2.325 20 10 EECDRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000844222522 788913765 /nfs/dbraw/zinc/91/37/65/788913765.db2.gz FAOTWIWCRFKLSR-UHFFFAOYSA-N 2 0 346.519 2.033 20 10 EECDRP COc1cc(C)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1O ZINC000164111170 789085315 /nfs/dbraw/zinc/08/53/15/789085315.db2.gz BSVLQZHSGUKCMH-UHFFFAOYSA-N 2 0 334.460 2.253 20 10 EECDRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001146396545 791232933 /nfs/dbraw/zinc/23/29/33/791232933.db2.gz ASXNVVGFPTWQBH-IRXDYDNUSA-N 2 0 347.503 2.472 20 10 EECDRP COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001172593050 797024176 /nfs/dbraw/zinc/02/41/76/797024176.db2.gz RWCNLAJIAYIBQJ-MSOLQXFVSA-N 2 0 345.487 2.260 20 10 EECDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000285589523 464619528 /nfs/dbraw/zinc/61/95/28/464619528.db2.gz HTXKHLKHUBELFW-OHRKKDJYSA-N 2 0 349.450 2.266 20 10 EECDRP CC(C)[NH2+]C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775671130 577442344 /nfs/dbraw/zinc/44/23/44/577442344.db2.gz WJYZLSZYOLSBGQ-UHFFFAOYSA-N 2 0 330.520 2.401 20 10 EECDRP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)C1 ZINC000768446786 577555917 /nfs/dbraw/zinc/55/59/17/577555917.db2.gz ORQIERQXTMGGIE-HXUWFJFHSA-N 2 0 343.515 2.483 20 10 EECDRP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)c1 ZINC000770353273 577594407 /nfs/dbraw/zinc/59/44/07/577594407.db2.gz ZDEJSIPKJCYZDC-KVSKMBFKSA-N 2 0 334.460 2.474 20 10 EECDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251030 676247226 /nfs/dbraw/zinc/24/72/26/676247226.db2.gz BYGNJYJLVYZBSY-JTDSTZFVSA-N 2 0 346.519 2.344 20 10 EECDRP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894174582 682137268 /nfs/dbraw/zinc/13/72/68/682137268.db2.gz VRKJUTCDGAJNQZ-UHFFFAOYSA-N 2 0 335.492 2.217 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001133908617 1199159858 /nfs/dbraw/zinc/15/98/58/1199159858.db2.gz ZIQRHTBGBKSOBE-UHFFFAOYSA-N 2 0 335.492 2.187 20 10 EECDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877524978 1199956171 /nfs/dbraw/zinc/95/61/71/1199956171.db2.gz MSOYJUQJAMVTJV-GOSISDBHSA-N 2 0 331.504 2.468 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[C@H]4[C@@H]3CC[N@@H+]4C)cc2)CC1 ZINC001275194883 1205278602 /nfs/dbraw/zinc/27/86/02/1205278602.db2.gz TUYODVDXOZWBIZ-PMACEKPBSA-N 2 0 328.504 2.107 20 10 EECDRP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001275821544 1205550909 /nfs/dbraw/zinc/55/09/09/1205550909.db2.gz SXKDRGKBEJNROG-HXUWFJFHSA-N 2 0 347.503 2.337 20 10 EECDRP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001275959977 1205603754 /nfs/dbraw/zinc/60/37/54/1205603754.db2.gz MCZZFFBWICTJJW-SFTDATJTSA-N 2 0 342.531 2.497 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272340 1299449930 /nfs/dbraw/zinc/44/99/30/1299449930.db2.gz RMGFAAKQIKMTJX-HXUWFJFHSA-N 3 0 328.504 2.062 20 10 EECDRP C[N@H+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)c(Cl)c3)C[C@H]2C1 ZINC001232200391 1304035208 /nfs/dbraw/zinc/03/52/08/1304035208.db2.gz VAWNEZCRJZLOTO-IYBDPMFKSA-N 2 0 335.879 2.170 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(OC)c1 ZINC001235039209 1305094046 /nfs/dbraw/zinc/09/40/46/1305094046.db2.gz VRQOKRVJUUWOOM-YLJYHZDGSA-N 2 0 347.503 2.352 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256108 1314722246 /nfs/dbraw/zinc/72/22/46/1314722246.db2.gz UCWPKCIWVKXMEA-MAUKXSAKSA-N 2 0 334.460 2.463 20 10 EECDRP COc1cc(C[NH+]2CCC3(CCC(=O)O3)CC2)cc(C[NH+](C)C)c1O ZINC001139258237 1314722560 /nfs/dbraw/zinc/72/25/60/1314722560.db2.gz NHFHBLBIWMFALT-UHFFFAOYSA-N 2 0 348.443 2.134 20 10 EECDRP COC(=O)CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139408461 1314739862 /nfs/dbraw/zinc/73/98/62/1314739862.db2.gz MQWGKNRZJHPLNW-UHFFFAOYSA-N 2 0 345.487 2.214 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(C[C@@H]4CCO)CC3)cc2)CC1 ZINC001139409017 1314740991 /nfs/dbraw/zinc/74/09/91/1314740991.db2.gz RWFASIDXKVIVTF-IBGZPJMESA-N 2 0 343.515 2.423 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)(O)[C@H](C)C3)cc2)CC1 ZINC001140302507 1314861351 /nfs/dbraw/zinc/86/13/51/1314861351.db2.gz SOXIDFLKWNEFOH-XLIONFOSSA-N 2 0 331.504 2.421 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)CCCC[NH+]2CCCC2)cc1C ZINC001153314352 1316810058 /nfs/dbraw/zinc/81/00/58/1316810058.db2.gz JJOHLXLVUBOBBV-UHFFFAOYSA-N 2 0 347.503 2.476 20 10 EECDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203876826 1321980844 /nfs/dbraw/zinc/98/08/44/1321980844.db2.gz JXYBDTVIVXMZIZ-XLIONFOSSA-N 2 0 346.471 2.278 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205559455 1323196284 /nfs/dbraw/zinc/19/62/84/1323196284.db2.gz RDAWXMRWVYBIDP-IBGZPJMESA-N 3 0 334.483 2.091 20 10 EECDRP CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001325892187 1333986109 /nfs/dbraw/zinc/98/61/09/1333986109.db2.gz UPRQWNCZFSZDFG-LJQANCHMSA-N 2 0 345.487 2.356 20 10 EECDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(O)cccc1OC ZINC000809737373 783345492 /nfs/dbraw/zinc/34/54/92/783345492.db2.gz GRMDHRIZWKGAPC-MRXNPFEDSA-N 2 0 335.492 2.249 20 10 EECDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817936555 785081230 /nfs/dbraw/zinc/08/12/30/785081230.db2.gz UGENHROBXIZMEJ-DYVFJYSZSA-N 2 0 339.430 2.279 20 10 EECDRP CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371471058 465817264 /nfs/dbraw/zinc/81/72/64/465817264.db2.gz QMLJLFKFBOBBKZ-SOLBZPMBSA-N 2 0 334.460 2.474 20 10 EECDRP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)C1 ZINC000768446780 577555893 /nfs/dbraw/zinc/55/58/93/577555893.db2.gz ORQIERQXTMGGIE-FQEVSTJZSA-N 2 0 343.515 2.483 20 10 EECDRP CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Br)ccc1O ZINC000702587172 1196020990 /nfs/dbraw/zinc/02/09/90/1196020990.db2.gz LUHCARNIEQKYEY-ZFWWWQNUSA-N 2 0 343.265 2.262 20 10 EECDRP Cc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(O)c1 ZINC000876990977 1199838978 /nfs/dbraw/zinc/83/89/78/1199838978.db2.gz GOSNCMCVOQXVLD-UHFFFAOYSA-N 2 0 340.471 2.398 20 10 EECDRP CN(C)c1cc(F)c(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1F ZINC000858096500 1294005321 /nfs/dbraw/zinc/00/53/21/1294005321.db2.gz FRBAMFWJAFTVOS-UHFFFAOYSA-N 2 0 340.462 2.148 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@@]34CCC[NH2+]C4)c(F)c2)CC1 ZINC001222252227 1299439480 /nfs/dbraw/zinc/43/94/80/1299439480.db2.gz BCBAMZNZGMIGKR-HXUWFJFHSA-N 2 0 346.494 2.296 20 10 EECDRP Cc1cc(C)c(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c(O)c1 ZINC001231848633 1303930074 /nfs/dbraw/zinc/93/00/74/1303930074.db2.gz JCGKYKXAWLCNSU-UHFFFAOYSA-N 2 0 345.487 2.171 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)c(F)c2)CC1 ZINC001236944003 1305740684 /nfs/dbraw/zinc/74/06/84/1305740684.db2.gz YHKWTKPMTXXGNI-VQIMIIECSA-N 2 0 333.451 2.188 20 10 EECDRP CCCC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177135 1310253414 /nfs/dbraw/zinc/25/34/14/1310253414.db2.gz ZGRDACIGISWNCP-MOPGFXCFSA-N 3 0 330.520 2.497 20 10 EECDRP OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000843343122 1315894415 /nfs/dbraw/zinc/89/44/15/1315894415.db2.gz SWTYOTIQTFVIAW-XUVXKRRUSA-N 2 0 343.515 2.373 20 10 EECDRP C[NH+](C)CCN1CC[NH+](Cc2ccc3c(c2O)C=CC(C)(C)O3)CC1 ZINC001249224393 1317027479 /nfs/dbraw/zinc/02/74/79/1317027479.db2.gz YJUGERDLGCLJGG-UHFFFAOYSA-N 2 0 345.487 2.256 20 10 EECDRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4ccccc4O)C[C@@H]3C2)cn1 ZINC001203551953 1321910381 /nfs/dbraw/zinc/91/03/81/1321910381.db2.gz UTCJLHALVKVSFS-AEFFLSMTSA-N 2 0 326.444 2.080 20 10 EECDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681304 1323243044 /nfs/dbraw/zinc/24/30/44/1323243044.db2.gz HYNXLFFTZNLOGO-FQEVSTJZSA-N 2 0 329.488 2.061 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cc2)CC1 ZINC001206769074 1323586546 /nfs/dbraw/zinc/58/65/46/1323586546.db2.gz NGGRDCCOLQALNT-HKUYNNGSSA-N 3 0 330.520 2.388 20 10 EECDRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001332069312 1335718900 /nfs/dbraw/zinc/71/89/00/1335718900.db2.gz OKKMDJQAHYKBLR-GOSISDBHSA-N 2 0 346.519 2.079 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)c3ccc(F)cc3)cc2)CC1 ZINC000824554859 788214283 /nfs/dbraw/zinc/21/42/83/788214283.db2.gz OAANHQYWGHJHHN-HXUWFJFHSA-N 2 0 343.446 2.401 20 10 EECDRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921861590 797698853 /nfs/dbraw/zinc/69/88/53/797698853.db2.gz XQFXLWKSAOMPRT-RBUKOAKNSA-N 2 0 330.472 2.479 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001169906866 804197683 /nfs/dbraw/zinc/19/76/83/804197683.db2.gz ZFISJWYABTXMJQ-SFHVURJKSA-N 2 0 345.487 2.214 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@H]3CCOC3)cc2F)CC1 ZINC000155265555 462867943 /nfs/dbraw/zinc/86/79/43/462867943.db2.gz UFKDCPNMBLIBII-RDJZCZTQSA-N 2 0 335.467 2.482 20 10 EECDRP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1C ZINC000756551651 577846461 /nfs/dbraw/zinc/84/64/61/577846461.db2.gz WGTFNFMBFITLCR-CVEARBPZSA-N 2 0 333.476 2.247 20 10 EECDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891243757 676235282 /nfs/dbraw/zinc/23/52/82/676235282.db2.gz UVSMYBYHYAWZPB-OALUTQOASA-N 2 0 346.519 2.344 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000891246878 676240479 /nfs/dbraw/zinc/24/04/79/676240479.db2.gz QRAKYHKBFJRKOU-QZTJIDSGSA-N 2 0 346.519 2.344 20 10 EECDRP Cc1ccc(O)c(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c1 ZINC001272622773 1190936358 /nfs/dbraw/zinc/93/63/58/1190936358.db2.gz RCLGBCSZESHFKB-UHFFFAOYSA-N 2 0 345.487 2.077 20 10 EECDRP COc1ccc(O)c(C[NH2+][C@@]23CC[C@@](NCC[NH+](C)C)(C2)CCC3)c1 ZINC001275278185 1205296565 /nfs/dbraw/zinc/29/65/65/1205296565.db2.gz AQYWHOBXLKLVCT-UXHICEINSA-N 2 0 347.503 2.487 20 10 EECDRP Cc1ccc(O)c(C[NH2+][C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)c1 ZINC001275311511 1205305478 /nfs/dbraw/zinc/30/54/78/1205305478.db2.gz BNXDEPKSTHICNW-VQTJNVASSA-N 2 0 345.487 2.313 20 10 EECDRP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858246152 1294059995 /nfs/dbraw/zinc/05/99/95/1294059995.db2.gz WFLKORWFLWMQQL-KRWDZBQOSA-N 2 0 335.467 2.484 20 10 EECDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1cc2ccccc2cc1O ZINC001276813999 1298443114 /nfs/dbraw/zinc/44/31/14/1298443114.db2.gz WMISYTNFGDOEDH-KDURUIRLSA-N 2 0 325.456 2.366 20 10 EECDRP CCOC(=O)c1c(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc2n1C ZINC001235198582 1305146458 /nfs/dbraw/zinc/14/64/58/1305146458.db2.gz QPSITRUJHXNQDX-HUUCEWRRSA-N 2 0 341.455 2.396 20 10 EECDRP Cc1ccc(C)n1-c1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC001236082380 1305498716 /nfs/dbraw/zinc/49/87/16/1305498716.db2.gz FCQPNJWJAGKART-UHFFFAOYSA-N 2 0 326.488 2.431 20 10 EECDRP CCCCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237015403 1305768136 /nfs/dbraw/zinc/76/81/36/1305768136.db2.gz KBBFKKCTOWQHCM-GOSISDBHSA-N 2 0 345.487 2.261 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CCC[C@H]4C3)c(F)c2)CC1 ZINC001237413072 1305924783 /nfs/dbraw/zinc/92/47/83/1305924783.db2.gz IWZRAAIIVGUHPL-PXNSSMCTSA-N 2 0 346.494 2.151 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)[C@H](C)C3)cc2)CC1 ZINC001140302501 1314860976 /nfs/dbraw/zinc/86/09/76/1314860976.db2.gz SJSIJYIYIXGQLI-YLJYHZDGSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2)CC1 ZINC001140303722 1314861382 /nfs/dbraw/zinc/86/13/82/1314861382.db2.gz RGZIOXQUCTXPKM-UXHICEINSA-N 3 0 342.531 2.212 20 10 EECDRP CC[NH+]1C[C@@H]2C[NH+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@H]2C1 ZINC001140309656 1314864475 /nfs/dbraw/zinc/86/44/75/1314864475.db2.gz PCJHWAGSGGOCSG-WOJBJXKFSA-N 3 0 342.531 2.212 20 10 EECDRP COc1ccc(Br)c(C[NH+]2CCC(C[NH3+])CC2)c1O ZINC001205047540 1322273096 /nfs/dbraw/zinc/27/30/96/1322273096.db2.gz YMNQPBKFFPXSPE-UHFFFAOYSA-N 2 0 329.238 2.334 20 10 EECDRP CN1CCN(c2ccc(C[NH+]3CCC(C[NH+](C)C)CC3)cc2F)CC1 ZINC001319690488 1332742592 /nfs/dbraw/zinc/74/25/92/1332742592.db2.gz FXQKDFCJQVZXKE-UHFFFAOYSA-N 2 0 348.510 2.351 20 10 EECDRP Oc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1O ZINC001167958535 781194425 /nfs/dbraw/zinc/19/44/25/781194425.db2.gz GYLONRSXSWYTID-IYHXRUFHSA-N 2 0 332.444 2.126 20 10 EECDRP COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1C ZINC001135370767 783659494 /nfs/dbraw/zinc/65/94/94/783659494.db2.gz AOBQLUXCPGGWQW-HOTGVXAUSA-N 2 0 335.492 2.328 20 10 EECDRP CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CC[NH+](C)CC1 ZINC000921523399 788836976 /nfs/dbraw/zinc/83/69/76/788836976.db2.gz WXBOYEIZNWBTLC-LJQANCHMSA-N 2 0 331.504 2.373 20 10 EECDRP Oc1cc2c(cc1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)OCO2 ZINC000174101706 464360347 /nfs/dbraw/zinc/36/03/47/464360347.db2.gz PVAOJWBDDKCCRY-UHFFFAOYSA-N 2 0 348.443 2.198 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2)CC1 ZINC000775742336 577444442 /nfs/dbraw/zinc/44/44/42/577444442.db2.gz UEWQWQKBMLSYMB-TZIWHRDSSA-N 3 0 342.531 2.355 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CCO)c3ccco3)cc2)CC1 ZINC000768946382 577566290 /nfs/dbraw/zinc/56/62/90/577566290.db2.gz NBPKCUUWMTVUKN-SFHVURJKSA-N 2 0 329.444 2.245 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C)cc1C ZINC000987531826 689809013 /nfs/dbraw/zinc/80/90/13/689809013.db2.gz OKJMHRIJIPLOKI-WMZOPIPTSA-N 2 0 345.487 2.178 20 10 EECDRP CC[C@@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)[NH+](CC)CC ZINC001133689933 1198944661 /nfs/dbraw/zinc/94/46/61/1198944661.db2.gz FNECSGSQWDDCEV-KRWDZBQOSA-N 2 0 335.492 2.330 20 10 EECDRP COc1ccncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814298946 1199425341 /nfs/dbraw/zinc/42/53/41/1199425341.db2.gz YJGWQVGTQLCJBX-UHFFFAOYSA-N 2 0 326.444 2.132 20 10 EECDRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc(F)cc(F)c3O)c2)CC1 ZINC000883194814 1202029080 /nfs/dbraw/zinc/02/90/80/1202029080.db2.gz DCEWIISDGWDHPU-UHFFFAOYSA-N 2 0 334.370 2.429 20 10 EECDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cccc(C(C)(C)C)c1O)C2 ZINC001275802724 1205541385 /nfs/dbraw/zinc/54/13/85/1205541385.db2.gz MLJKQISSVWHBEU-UHFFFAOYSA-N 2 0 331.504 2.369 20 10 EECDRP COc1ccc(N2CCC([NH2+]CCCN(C)CC[NH+](C)C)CC2)cc1 ZINC000857783817 1293916919 /nfs/dbraw/zinc/91/69/19/1293916919.db2.gz CUXQKWBCMHKVPN-UHFFFAOYSA-N 2 0 348.535 2.137 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C[NH2+]CCO2 ZINC001235159945 1305131827 /nfs/dbraw/zinc/13/18/27/1305131827.db2.gz ZDSPAWKZFIPOKR-GOSISDBHSA-N 2 0 345.487 2.228 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN(C(C)C)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC001236530036 1305590622 /nfs/dbraw/zinc/59/06/22/1305590622.db2.gz OIPGDEFLFWXIIC-HXUWFJFHSA-N 2 0 330.520 2.401 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]34CCOC4)c(F)c2)CC1 ZINC001236942703 1305741173 /nfs/dbraw/zinc/74/11/73/1305741173.db2.gz MPAKYVRFRNITRR-LJQANCHMSA-N 2 0 333.451 2.332 20 10 EECDRP C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140284677 1314853825 /nfs/dbraw/zinc/85/38/25/1314853825.db2.gz XRDOHLNDUPJYDG-MSOLQXFVSA-N 2 0 329.488 2.031 20 10 EECDRP Fc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)ccc1N1CCOCC1 ZINC000841089866 1315472043 /nfs/dbraw/zinc/47/20/43/1315472043.db2.gz QPIBLUATARDEOP-INIZCTEOSA-N 2 0 333.451 2.427 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205627415 1323220477 /nfs/dbraw/zinc/22/04/77/1323220477.db2.gz PKGGOISRAFHVLX-HZPDHXFCSA-N 2 0 335.467 2.469 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)C23CCC[NH+]2CCC3)[NH+](C)C)cc1 ZINC001336624824 1336572318 /nfs/dbraw/zinc/57/23/18/1336572318.db2.gz QHIAQQKEBNMNEW-SFHVURJKSA-N 2 0 344.503 2.100 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3c4ccccc4C[C@@H]3O)cc2)CC1 ZINC000848567378 1338723016 /nfs/dbraw/zinc/72/30/16/1338723016.db2.gz GOVYWIPDUMFELQ-SFTDATJTSA-N 2 0 337.467 2.186 20 10 EECDRP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4c([O-])cccc4F)C[C@H]3C2)cn1 ZINC001137836243 1372281281 /nfs/dbraw/zinc/28/12/81/1372281281.db2.gz XFDKIKJTOYRJHZ-HZPDHXFCSA-N 2 0 344.434 2.219 20 10 EECDRP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817971699 785121795 /nfs/dbraw/zinc/12/17/95/785121795.db2.gz GJLBJEISTUMGJL-DOMZBBRYSA-N 2 0 331.382 2.187 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)cc2)CC1 ZINC000824845885 788336132 /nfs/dbraw/zinc/33/61/32/788336132.db2.gz ODAJGCHVWSNYCF-NHCUHLMSSA-N 2 0 343.515 2.325 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)CCCC[NH+](C)C)cc1C ZINC001171578730 796647334 /nfs/dbraw/zinc/64/73/34/796647334.db2.gz GKKCHJUCVFGLKL-UHFFFAOYSA-N 2 0 335.492 2.331 20 10 EECDRP C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000785987181 806657385 /nfs/dbraw/zinc/65/73/85/806657385.db2.gz FHTZEQHQXGTYGE-MBOZVWFJSA-N 2 0 331.504 2.420 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)c2ccc3c[nH+]cn3c2)cc1C ZINC001131375257 812753208 /nfs/dbraw/zinc/75/32/08/812753208.db2.gz VEXDXPJYEUQKDL-UHFFFAOYSA-N 2 0 338.411 2.171 20 10 EECDRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000159134776 463269910 /nfs/dbraw/zinc/26/99/10/463269910.db2.gz KHQHJRYFURSQNR-SFHVURJKSA-N 2 0 341.455 2.243 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374254136 467034596 /nfs/dbraw/zinc/03/45/96/467034596.db2.gz LBHQIOYJWUWOKZ-FXAWDEMLSA-N 2 0 330.520 2.210 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)cc2)CC1 ZINC000905426197 1189723171 /nfs/dbraw/zinc/72/31/71/1189723171.db2.gz DXCBQIFQMLBNFL-HXUWFJFHSA-N 2 0 325.456 2.262 20 10 EECDRP CC[C@H](C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1)[NH+](CC)CC ZINC001133689935 1198944663 /nfs/dbraw/zinc/94/46/63/1198944663.db2.gz FNECSGSQWDDCEV-QGZVFWFLSA-N 2 0 335.492 2.330 20 10 EECDRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1O ZINC000879648820 1201193790 /nfs/dbraw/zinc/19/37/90/1201193790.db2.gz AUIREWPGXQGTMX-QAPCUYQASA-N 2 0 341.455 2.462 20 10 EECDRP Cc1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1N(C)C ZINC001275361187 1205320328 /nfs/dbraw/zinc/32/03/28/1205320328.db2.gz PIPOUMQWUXWLLY-PMACEKPBSA-N 2 0 330.520 2.271 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)cc1C ZINC001018963769 1228580175 /nfs/dbraw/zinc/58/01/75/1228580175.db2.gz XIJSFOWLUJQQFK-KRWDZBQOSA-N 2 0 345.487 2.178 20 10 EECDRP Cc1nccn1CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800900137 1234774048 /nfs/dbraw/zinc/77/40/48/1234774048.db2.gz MSXYUKODMVMERX-UHFFFAOYSA-N 2 0 327.476 2.123 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([S@](C)=O)C3)cc2)CC1 ZINC000850355770 1277195760 /nfs/dbraw/zinc/19/57/60/1277195760.db2.gz LIQGXAGODLKBQZ-YJLYGGOZSA-N 2 0 349.544 2.218 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001134767023 1278013785 /nfs/dbraw/zinc/01/37/85/1278013785.db2.gz PUVGYRGPIXILDN-GOSISDBHSA-N 2 0 347.503 2.472 20 10 EECDRP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc2c(cc1O)CCCC2 ZINC000854231529 1292680548 /nfs/dbraw/zinc/68/05/48/1292680548.db2.gz GKHJLFXWZXYATR-LLVKDONJSA-N 2 0 328.416 2.076 20 10 EECDRP COC(=O)c1c(C[NH+]2CC3(C2)CC[NH+](C)CC3)c2ccccc2n1C ZINC001232406062 1304110470 /nfs/dbraw/zinc/11/04/70/1304110470.db2.gz SINLVTIWVIDDHP-UHFFFAOYSA-N 2 0 341.455 2.493 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCNC4=CCCC[C@@H]43)cc2)CC1 ZINC001237226830 1305856557 /nfs/dbraw/zinc/85/65/57/1305856557.db2.gz ZKHDHCGHHYZORG-FQEVSTJZSA-N 2 0 326.488 2.280 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237404650 1305921797 /nfs/dbraw/zinc/92/17/97/1305921797.db2.gz OHKVMLOMIDZYKY-TZIWHRDSSA-N 3 0 342.531 2.402 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253130 1314721255 /nfs/dbraw/zinc/72/12/55/1314721255.db2.gz MYZCMLMDSBVFHO-KUHUBIRLSA-N 2 0 336.476 2.445 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@](F)(CO)CC2)cc(C[NH+](C)C)c1O ZINC001139255684 1314722252 /nfs/dbraw/zinc/72/22/52/1314722252.db2.gz RMOVEYFMCUERQM-GOSISDBHSA-N 2 0 340.439 2.149 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](C(C)(C)C)CC3)cc2)CC1 ZINC001139409381 1314740588 /nfs/dbraw/zinc/74/05/88/1314740588.db2.gz KTFACHBVAYUAIR-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001140620630 1314916100 /nfs/dbraw/zinc/91/61/00/1314916100.db2.gz WCNIZIBFIFYPRP-IEBWSBKVSA-N 2 0 340.471 2.388 20 10 EECDRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000839564758 1315215452 /nfs/dbraw/zinc/21/54/52/1315215452.db2.gz YBYSHOSSPNNCQZ-HNNXBMFYSA-N 2 0 332.492 2.004 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3C[C@@H]([NH3+])Cc4ccccc43)cc2)CC1 ZINC000841106222 1315476946 /nfs/dbraw/zinc/47/69/46/1315476946.db2.gz IEOSCRPQJDAZLG-IBGZPJMESA-N 2 0 336.483 2.328 20 10 EECDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC000841300502 1315525160 /nfs/dbraw/zinc/52/51/60/1315525160.db2.gz QPSLKYMPZCPKTN-QGZVFWFLSA-N 2 0 333.480 2.149 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000841846269 1315622010 /nfs/dbraw/zinc/62/20/10/1315622010.db2.gz OJXGRKSYHTWXCM-KRWDZBQOSA-N 2 0 332.492 2.168 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1C ZINC000843058126 1315831756 /nfs/dbraw/zinc/83/17/56/1315831756.db2.gz PVGHHFRMBFJHQB-SJLPKXTDSA-N 2 0 345.487 2.089 20 10 EECDRP COc1ccc(N2CC[NH+](CCCNc3c[nH+]cn3C)CC2)cc1 ZINC001164329539 1321352862 /nfs/dbraw/zinc/35/28/62/1321352862.db2.gz BRQSXRNJQVNQOL-UHFFFAOYSA-N 2 0 329.448 2.053 20 10 EECDRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001262585278 1322328548 /nfs/dbraw/zinc/32/85/48/1322328548.db2.gz YJFFRDIBILNXBD-FUHWJXTLSA-N 2 0 349.523 2.172 20 10 EECDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001323828985 1333548930 /nfs/dbraw/zinc/54/89/30/1333548930.db2.gz FQODCFHNRDLMNJ-OWCLPIDISA-N 2 0 345.487 2.426 20 10 EECDRP CC(C)c1ccc(O)c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC001575858799 1343905053 /nfs/dbraw/zinc/90/50/53/1343905053.db2.gz PTRSPIGYWCRIOY-KRWDZBQOSA-N 2 0 333.476 2.335 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)CC2CC[NH+](C)CC2)cc1C ZINC001167667056 760953495 /nfs/dbraw/zinc/95/34/95/760953495.db2.gz FGHCHPXRLOEOSJ-UHFFFAOYSA-N 2 0 347.503 2.331 20 10 EECDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3c(c2)CCO3)CC[NH2+]CC1 ZINC000817902125 785056084 /nfs/dbraw/zinc/05/60/84/785056084.db2.gz IUJSWIRWJYTDEU-AWEZNQCLSA-N 2 0 332.444 2.033 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1C ZINC001127256599 794422196 /nfs/dbraw/zinc/42/21/96/794422196.db2.gz PCNVBJKCQFFPNK-QZTJIDSGSA-N 2 0 345.487 2.084 20 10 EECDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185345221 463806547 /nfs/dbraw/zinc/80/65/47/463806547.db2.gz IZFHGCLBFDXUGD-HZPDHXFCSA-N 2 0 335.492 2.325 20 10 EECDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(OC)c1O ZINC000289487028 464081167 /nfs/dbraw/zinc/08/11/67/464081167.db2.gz RFICQCKERREIOZ-QGZVFWFLSA-N 2 0 335.492 2.249 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370698979 466970657 /nfs/dbraw/zinc/97/06/57/466970657.db2.gz KJTHNUBUADOSHB-LPHOPBHVSA-N 2 0 347.503 2.249 20 10 EECDRP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)Cn1cccn1 ZINC000771823447 577232831 /nfs/dbraw/zinc/23/28/31/577232831.db2.gz CIFDFSLWTXIKDZ-QGZVFWFLSA-N 2 0 327.476 2.061 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)c3ccco3)cc2)CC1 ZINC000771843051 577233814 /nfs/dbraw/zinc/23/38/14/577233814.db2.gz PVPJLTRTSOEXKH-LJQANCHMSA-N 2 0 329.444 2.029 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000775726225 577443902 /nfs/dbraw/zinc/44/39/02/577443902.db2.gz PZSISKUZSGVSKC-MOPGFXCFSA-N 2 0 329.488 2.297 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](OC)C3CC3)cc2F)CC1 ZINC000877012693 1199844392 /nfs/dbraw/zinc/84/43/92/1199844392.db2.gz YDFYGKCDPATHEH-LJQANCHMSA-N 2 0 335.467 2.482 20 10 EECDRP COc1ccc(C[NH2+]C2CC(CNC(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001101036406 1259598710 /nfs/dbraw/zinc/59/87/10/1259598710.db2.gz PYVFNJKTWVVTLI-UHFFFAOYSA-N 2 0 347.503 2.328 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243892 1299434526 /nfs/dbraw/zinc/43/45/26/1299434526.db2.gz QOBAJFVILCIHHK-FQEVSTJZSA-N 2 0 328.504 2.156 20 10 EECDRP C[NH+](C)CCN1CC[N@H+](Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235677111 1305326136 /nfs/dbraw/zinc/32/61/36/1305326136.db2.gz BEXFDMOBNSXSFQ-UHFFFAOYSA-N 2 0 347.503 2.286 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c(OC)c1 ZINC001236074495 1305492051 /nfs/dbraw/zinc/49/20/51/1305492051.db2.gz YZORSJYFYDKBSO-IBGZPJMESA-N 2 0 346.519 2.149 20 10 EECDRP COc1cc(C)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(O)c1 ZINC001236812011 1305687683 /nfs/dbraw/zinc/68/76/83/1305687683.db2.gz XUFIBPMFBHCMLW-UHFFFAOYSA-N 2 0 337.508 2.415 20 10 EECDRP C[NH+](C)CCN(Cc1c(O)ccc(F)c1Cl)[C@H]1CCC[NH2+]C1 ZINC001236931044 1305733985 /nfs/dbraw/zinc/73/39/85/1305733985.db2.gz FFJWGWYXGAMUDU-LBPRGKRZSA-N 2 0 329.847 2.300 20 10 EECDRP CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236944043 1305741039 /nfs/dbraw/zinc/74/10/39/1305741039.db2.gz ZCJGEXRAMQRZBC-IBGZPJMESA-N 2 0 348.510 2.492 20 10 EECDRP COc1cc(C[NH+]2CCC3(C[C@@H]3CCO)CC2)cc(C[NH+](C)C)c1O ZINC001139254712 1314722098 /nfs/dbraw/zinc/72/20/98/1314722098.db2.gz LFGZTJUTFLZSPZ-KRWDZBQOSA-N 2 0 348.487 2.447 20 10 EECDRP CCCC[NH+]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139257115 1314722272 /nfs/dbraw/zinc/72/22/72/1314722272.db2.gz RSQUUITXNMLOIS-UHFFFAOYSA-N 2 0 335.492 2.380 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)cc2)CC1 ZINC001139413137 1314741684 /nfs/dbraw/zinc/74/16/84/1314741684.db2.gz SCZADUBWGHUTHR-UHFFFAOYSA-N 3 0 342.531 2.356 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)[C@@H]3CO)cc2)CC1 ZINC001140302660 1314861318 /nfs/dbraw/zinc/86/13/18/1314861318.db2.gz WZMDFGDSXHTAEN-PXNSSMCTSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCN(C)[C@@H]4C3)cc2)CC1 ZINC001140309722 1314865008 /nfs/dbraw/zinc/86/50/08/1314865008.db2.gz RWDPPJVTLQDYBR-PZJWPPBQSA-N 2 0 342.531 2.355 20 10 EECDRP CN(C)c1ccc(C[NH2+]CCCN2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000841028144 1315458771 /nfs/dbraw/zinc/45/87/71/1315458771.db2.gz BNCVIWGYBOPXOC-UHFFFAOYSA-N 2 0 344.425 2.156 20 10 EECDRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001262585280 1322328025 /nfs/dbraw/zinc/32/80/25/1322328025.db2.gz YJFFRDIBILNXBD-WMZOPIPTSA-N 2 0 349.523 2.172 20 10 EECDRP COc1cc(CN2CCCC[C@](F)(C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206352341 1323466616 /nfs/dbraw/zinc/46/66/16/1323466616.db2.gz UMSDEYOSCVCVHN-SFHVURJKSA-N 2 0 339.455 2.115 20 10 EECDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CCCC2)cc1 ZINC001323695320 1333518062 /nfs/dbraw/zinc/51/80/62/1333518062.db2.gz OXAUNRSHWXFDHK-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)cc2F)CC1 ZINC001326484235 1334102471 /nfs/dbraw/zinc/10/24/71/1334102471.db2.gz NTLAMXSUMJKJHF-OKILXGFUSA-N 2 0 325.378 2.274 20 10 EECDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963545 1349082816 /nfs/dbraw/zinc/08/28/16/1349082816.db2.gz LAZWDSKBKNBVPR-KBPBESRZSA-N 2 0 344.463 2.343 20 10 EECDRP COc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1O ZINC000809740181 783346913 /nfs/dbraw/zinc/34/69/13/783346913.db2.gz OASYTYIISBZULT-UHFFFAOYSA-N 2 0 341.455 2.442 20 10 EECDRP CCC[C@@]1(CO)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809790159 783395165 /nfs/dbraw/zinc/39/51/65/783395165.db2.gz AYIYYXZYMWDESL-HXUWFJFHSA-N 2 0 331.504 2.423 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000817902292 785054614 /nfs/dbraw/zinc/05/46/14/785054614.db2.gz MKIQPJLDXNJAFH-VQIMIIECSA-N 3 0 348.510 2.445 20 10 EECDRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921861586 797698536 /nfs/dbraw/zinc/69/85/36/797698536.db2.gz XQFXLWKSAOMPRT-OALUTQOASA-N 2 0 330.472 2.479 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H]2C)cc1C ZINC001179486072 799948503 /nfs/dbraw/zinc/94/85/03/799948503.db2.gz GZBOMXRBSZOONV-RDJZCZTQSA-N 2 0 333.476 2.034 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C[NH3+])c2)[NH+](C)C)cc1 ZINC001514581859 1118797432 /nfs/dbraw/zinc/79/74/32/1118797432.db2.gz OHTKNVSQOVGEAU-LJQANCHMSA-N 2 0 340.471 2.244 20 10 EECDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000285589531 464619507 /nfs/dbraw/zinc/61/95/07/464619507.db2.gz HTXKHLKHUBELFW-WWTUQBGBSA-N 2 0 349.450 2.266 20 10 EECDRP CN(C)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000377632871 467101989 /nfs/dbraw/zinc/10/19/89/467101989.db2.gz VZEONHMIUYHBGF-UHFFFAOYSA-N 2 0 348.510 2.351 20 10 EECDRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000756550839 577846510 /nfs/dbraw/zinc/84/65/10/577846510.db2.gz SUNZXNTUCQHUIS-CHWSQXEVSA-N 2 0 339.867 2.284 20 10 EECDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873015689 1198475256 /nfs/dbraw/zinc/47/52/56/1198475256.db2.gz UDWCVHQFRHIDMN-QGZVFWFLSA-N 2 0 328.460 2.371 20 10 EECDRP C[NH+](C)CC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876576992 1199678015 /nfs/dbraw/zinc/67/80/15/1199678015.db2.gz SYYFYUXNYNKESE-UHFFFAOYSA-N 2 0 331.504 2.421 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1C ZINC001020302731 1229614996 /nfs/dbraw/zinc/61/49/96/1229614996.db2.gz QRTJSVVBWQOEGN-KZNAEPCWSA-N 2 0 345.487 2.225 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001000926898 1241225173 /nfs/dbraw/zinc/22/51/73/1241225173.db2.gz KQZZYMGSJGZECK-MSOLQXFVSA-N 2 0 345.487 2.036 20 10 EECDRP CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001235457827 1305240224 /nfs/dbraw/zinc/24/02/24/1305240224.db2.gz GVDKHDLDJCMEBY-IBGZPJMESA-N 2 0 334.483 2.007 20 10 EECDRP Cc1cc(O)c(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001236930431 1305731727 /nfs/dbraw/zinc/73/17/27/1305731727.db2.gz ANNVHIFWVUBWKK-HNNXBMFYSA-N 2 0 325.884 2.470 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237386875 1305914044 /nfs/dbraw/zinc/91/40/44/1305914044.db2.gz BAHRYIZDUPJNKG-AZUAARDMSA-N 3 0 328.504 2.012 20 10 EECDRP COc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139260060 1314723000 /nfs/dbraw/zinc/72/30/00/1314723000.db2.gz LPJBJBKGUINZKG-GOEBONIOSA-N 2 0 332.444 2.263 20 10 EECDRP C[C@H]1C[C@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]2O1 ZINC001139407402 1314740205 /nfs/dbraw/zinc/74/02/05/1314740205.db2.gz AJMHDGMYAUJIRP-XKGZKEIXSA-N 2 0 329.488 2.438 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC([NH+]4CCCCC4)C3)cc2)CC1 ZINC001140306411 1314863172 /nfs/dbraw/zinc/86/31/72/1314863172.db2.gz RAOLOKIVYAJOSR-UHFFFAOYSA-N 2 0 342.531 2.499 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[N@H+](CC)[C@H](C)C3)cc2)CC1 ZINC001140306613 1314863598 /nfs/dbraw/zinc/86/35/98/1314863598.db2.gz SVMVIMQXPRZYIA-GOSISDBHSA-N 2 0 330.520 2.355 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[C@@H]([N@H+](C)C4CC4)C3)cc2)CC1 ZINC001140309471 1314865494 /nfs/dbraw/zinc/86/54/94/1314865494.db2.gz HUCOJJRNZNCNTO-OAQYLSRUSA-N 2 0 342.531 2.497 20 10 EECDRP Oc1cc2c(cc1CN1CC[NH+](C3CCCCC3)CC1)C[NH2+]CCO2 ZINC001204855057 1322239679 /nfs/dbraw/zinc/23/96/79/1322239679.db2.gz YPOYDFMTWNXPMM-UHFFFAOYSA-N 2 0 345.487 2.325 20 10 EECDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC[C@](O)(C[NH3+])C3)ccc2O1 ZINC001205735667 1323274814 /nfs/dbraw/zinc/27/48/14/1323274814.db2.gz PIYPMKDHNBDVJZ-IBGZPJMESA-N 2 0 332.444 2.252 20 10 EECDRP C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205841425 1323317530 /nfs/dbraw/zinc/31/75/30/1323317530.db2.gz JYPXFRAEHVKMAR-CRAIPNDOSA-N 2 0 334.483 2.137 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002742 1323367452 /nfs/dbraw/zinc/36/74/52/1323367452.db2.gz AFENOFIRACKVKX-IEBWSBKVSA-N 3 0 330.520 2.245 20 10 EECDRP C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001325321791 1333863363 /nfs/dbraw/zinc/86/33/63/1333863363.db2.gz ZSHNLKQWJBIVLT-DOTOQJQBSA-N 2 0 334.483 2.055 20 10 EECDRP Oc1ccc(O)c(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c1 ZINC001141156273 1372765263 /nfs/dbraw/zinc/76/52/63/1372765263.db2.gz ITUUYKVNOOBYPY-UHFFFAOYSA-N 2 0 334.460 2.422 20 10 EECDRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000846156460 790066161 /nfs/dbraw/zinc/06/61/61/790066161.db2.gz LTEQOKIDCRDZRW-XKQJLSEDSA-N 2 0 334.460 2.429 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)c3ccccc3)cc2)CC1 ZINC000771846311 577234105 /nfs/dbraw/zinc/23/41/05/577234105.db2.gz MAUCOJVCFWEOGN-NRFANRHFSA-N 2 0 339.483 2.436 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[N@@H+]4CCCC[C@@H]4C3)cc2)CC1 ZINC000775664954 577442174 /nfs/dbraw/zinc/44/21/74/577442174.db2.gz FIPNZQWYHMUPBR-HXUWFJFHSA-N 2 0 328.504 2.109 20 10 EECDRP CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000776495346 577460904 /nfs/dbraw/zinc/46/09/04/577460904.db2.gz YBETUPZRDBKWOR-IBGZPJMESA-N 2 0 331.504 2.325 20 10 EECDRP COc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000894770525 683076355 /nfs/dbraw/zinc/07/63/55/683076355.db2.gz PRQXDENXIYZEMU-SFHVURJKSA-N 2 0 347.503 2.310 20 10 EECDRP Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(O)c1 ZINC000876921939 1199818983 /nfs/dbraw/zinc/81/89/83/1199818983.db2.gz MZSXPUKHQSWPAG-UHFFFAOYSA-N 2 0 326.444 2.137 20 10 EECDRP Cc1ccc(O)c(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1 ZINC001275311610 1205305595 /nfs/dbraw/zinc/30/55/95/1205305595.db2.gz GGNFKCBAAGLKAL-UHFFFAOYSA-N 2 0 340.471 2.495 20 10 EECDRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001277441464 1303030242 /nfs/dbraw/zinc/03/02/42/1303030242.db2.gz LIFHHBNSNVNTTJ-YLJYHZDGSA-N 2 0 345.487 2.014 20 10 EECDRP CCN(CC[NH+]1CCCCC1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235961092 1305456848 /nfs/dbraw/zinc/45/68/48/1305456848.db2.gz YORLEOLHGIGZGA-UHFFFAOYSA-N 2 0 330.520 2.404 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@H]([NH2+]C4CC4)C3)c(F)c2)CC1 ZINC001236224105 1305537258 /nfs/dbraw/zinc/53/72/58/1305537258.db2.gz RAFOTKHGAOBGPM-SFHVURJKSA-N 2 0 346.494 2.294 20 10 EECDRP C[NH+]1CCN(c2ccc(CN(C3CC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238858 1305541559 /nfs/dbraw/zinc/54/15/59/1305541559.db2.gz HMJHIVGKORAOQB-FQEVSTJZSA-N 2 0 328.504 2.155 20 10 EECDRP CCCN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CC[NH2+]C1 ZINC001236323568 1305560223 /nfs/dbraw/zinc/56/02/23/1305560223.db2.gz GWFZODYSJFTPRC-GOSISDBHSA-N 2 0 334.483 2.151 20 10 EECDRP CCN(CC[NH+]1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938797 1305738625 /nfs/dbraw/zinc/73/86/25/1305738625.db2.gz NQJWEJQCGFPVDD-UHFFFAOYSA-N 2 0 348.510 2.495 20 10 EECDRP CC[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H]1C ZINC001236948151 1305742288 /nfs/dbraw/zinc/74/22/88/1305742288.db2.gz VKWGYCPMGFYFGK-MRXNPFEDSA-N 2 0 334.483 2.104 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC001122414431 1310277862 /nfs/dbraw/zinc/27/78/62/1310277862.db2.gz QMLSXDQWAWKDDO-STRNNXBNSA-N 2 0 344.503 2.027 20 10 EECDRP [NH3+][C@H](c1ccccc1O)[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC001246342447 1310284560 /nfs/dbraw/zinc/28/45/60/1310284560.db2.gz OQMDIEQFCRYZHM-UPRAQXHNSA-N 2 0 327.428 2.181 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC001139409934 1314740533 /nfs/dbraw/zinc/74/05/33/1314740533.db2.gz VYOOHLRLLFAKHI-FQEVSTJZSA-N 2 0 328.504 2.109 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157434210 1318638119 /nfs/dbraw/zinc/63/81/19/1318638119.db2.gz NIXMUEIHPRRJJG-YOEHRIQHSA-N 2 0 333.476 2.205 20 10 EECDRP C[C@H]([NH3+])c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001167441470 759452600 /nfs/dbraw/zinc/45/26/00/759452600.db2.gz MMHJLEVJOQUAKN-HNNXBMFYSA-N 2 0 325.460 2.465 20 10 EECDRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1)[NH+](C)C ZINC000996711614 787229825 /nfs/dbraw/zinc/22/98/25/787229825.db2.gz JWRIOWHRPLUQRO-GOSISDBHSA-N 2 0 347.503 2.424 20 10 EECDRP C[C@@H](CO)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000846058151 790029810 /nfs/dbraw/zinc/02/98/10/790029810.db2.gz LYHOOFNYGGHITC-KRWDZBQOSA-N 2 0 331.504 2.279 20 10 EECDRP COc1cc(Cl)cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000186595598 464030317 /nfs/dbraw/zinc/03/03/17/464030317.db2.gz XKQVGQOYNSGZBG-ZDUSSCGKSA-N 2 0 341.883 2.170 20 10 EECDRP COC(=O)CN(CCn1ccnc1C)Cc1cc(Cl)ccc1O ZINC000270817379 464268692 /nfs/dbraw/zinc/26/86/92/464268692.db2.gz ALSOKEYOJJULQY-UHFFFAOYSA-N 2 0 337.807 2.226 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)c3ccco3)cc2)CC1 ZINC000771843048 577233817 /nfs/dbraw/zinc/23/38/17/577233817.db2.gz PVPJLTRTSOEXKH-IBGZPJMESA-N 2 0 329.444 2.029 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3C3OCCO3)cc2)CC1 ZINC000775675045 577442418 /nfs/dbraw/zinc/44/24/18/577442418.db2.gz QIOHAHXCGAOOEK-IBGZPJMESA-N 2 0 345.487 2.166 20 10 EECDRP CCN(C)c1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765800359 577507466 /nfs/dbraw/zinc/50/74/66/577507466.db2.gz ZXAYANKZORSOEC-FUHWJXTLSA-N 2 0 346.519 2.381 20 10 EECDRP COc1cccc(O)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000769205841 577572288 /nfs/dbraw/zinc/57/22/88/577572288.db2.gz IXWAFTJXYRKUGL-UHFFFAOYSA-N 2 0 334.460 2.335 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)COC(C)=O)cc2F)CC1 ZINC000892906560 683185899 /nfs/dbraw/zinc/18/58/99/683185899.db2.gz SISIORMMROLVNI-AWEZNQCLSA-N 2 0 337.439 2.009 20 10 EECDRP CCc1nn(C)cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283722 1202040419 /nfs/dbraw/zinc/04/04/19/1202040419.db2.gz QFXBCRQIFRNIHJ-UHFFFAOYSA-N 2 0 327.476 2.024 20 10 EECDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cnn(C)c1 ZINC000883289279 1202041493 /nfs/dbraw/zinc/04/14/93/1202041493.db2.gz JUYDJCIWNBBTRS-IBGZPJMESA-N 2 0 327.476 2.413 20 10 EECDRP CCOc1cccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001275271044 1205295418 /nfs/dbraw/zinc/29/54/18/1205295418.db2.gz OJEFENGSIBUGCV-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP Cc1cc(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)ccc1N(C)C ZINC001275361627 1205320848 /nfs/dbraw/zinc/32/08/48/1205320848.db2.gz ZZRRLXSIWPZESZ-AZUAARDMSA-N 2 0 330.520 2.129 20 10 EECDRP CN(C)c1ccc(CN2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)c(Cl)c1 ZINC001276155423 1205802743 /nfs/dbraw/zinc/80/27/43/1205802743.db2.gz HFIMOBJOIPJZFK-CALCHBBNSA-N 2 0 336.911 2.226 20 10 EECDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000246897431 1213394172 /nfs/dbraw/zinc/39/41/72/1213394172.db2.gz HKSWJDFYYLLZMY-MAUKXSAKSA-N 2 0 335.467 2.482 20 10 EECDRP Cc1c[nH+]ccc1N1CC[NH+](Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841598 1304267749 /nfs/dbraw/zinc/26/77/49/1304267749.db2.gz LDRFORYBKUPTAA-UHFFFAOYSA-N 2 0 326.444 2.484 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCO[C@H]3C3CC3)cc2)CC1 ZINC000784688271 1304527385 /nfs/dbraw/zinc/52/73/85/1304527385.db2.gz UJJVMYYPXMHGHV-VQTJNVASSA-N 2 0 329.488 2.486 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)c(F)c2)CC1 ZINC001236942426 1305739051 /nfs/dbraw/zinc/73/90/51/1305739051.db2.gz JLTSCYDQBVDAFL-KJWXAFIESA-N 2 0 345.462 2.187 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256088 1314722183 /nfs/dbraw/zinc/72/21/83/1314722183.db2.gz SSUDJFROZMFZNM-AUUYWEPGSA-N 2 0 336.476 2.445 20 10 EECDRP CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841003977 1315452718 /nfs/dbraw/zinc/45/27/18/1315452718.db2.gz JKLSTNSKPHFWHL-SFHVURJKSA-N 2 0 346.519 2.162 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000841846244 1315622246 /nfs/dbraw/zinc/62/22/46/1315622246.db2.gz MVCVICWTKRGBBI-IAGOWNOFSA-N 2 0 346.862 2.222 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC2(C[NH3+])CCCCC2)cc1 ZINC000841846271 1315622266 /nfs/dbraw/zinc/62/22/66/1315622266.db2.gz OJXGRKSYHTWXCM-QGZVFWFLSA-N 2 0 332.492 2.168 20 10 EECDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]21 ZINC000843060243 1315832261 /nfs/dbraw/zinc/83/22/61/1315832261.db2.gz YYHMFBWVUUSZQV-XYJFISCASA-N 2 0 333.451 2.222 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205626250 1323220943 /nfs/dbraw/zinc/22/09/43/1323220943.db2.gz FBBNGPMPEODWAN-FUHWJXTLSA-N 2 0 331.504 2.455 20 10 EECDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)ccc2O1 ZINC001205735669 1323274737 /nfs/dbraw/zinc/27/47/37/1323274737.db2.gz PIYPMKDHNBDVJZ-LJQANCHMSA-N 2 0 332.444 2.252 20 10 EECDRP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140286733 1372556581 /nfs/dbraw/zinc/55/65/81/1372556581.db2.gz CLPXSZHMMDNRFH-OALUTQOASA-N 2 0 343.515 2.421 20 10 EECDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(OC)ccc3O)CC2)CC1 ZINC000817413792 784765967 /nfs/dbraw/zinc/76/59/67/784765967.db2.gz JYNFGJHEQJHSMF-UHFFFAOYSA-N 2 0 347.503 2.393 20 10 EECDRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921861583 797698715 /nfs/dbraw/zinc/69/87/15/797698715.db2.gz XQFXLWKSAOMPRT-MOPGFXCFSA-N 2 0 330.472 2.479 20 10 EECDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000113336112 237165835 /nfs/dbraw/zinc/16/58/35/237165835.db2.gz XPIKEYAHBJOKFY-UHFFFAOYSA-N 2 0 325.884 2.409 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3C)cc2F)CC1 ZINC000192542304 529153285 /nfs/dbraw/zinc/15/32/85/529153285.db2.gz RWXQYSLINXLQNL-MAUKXSAKSA-N 2 0 335.467 2.482 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOCC4(CCC4)C3)cc2)CC1 ZINC000761225572 577679682 /nfs/dbraw/zinc/67/96/82/577679682.db2.gz JIDZYFFVZPNBEU-UHFFFAOYSA-N 2 0 329.488 2.441 20 10 EECDRP CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000924994882 682335286 /nfs/dbraw/zinc/33/52/86/682335286.db2.gz BJWXITZILFGEIF-AEFFLSMTSA-N 2 0 335.467 2.482 20 10 EECDRP COc1ccc(O)c([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000873246510 1198540896 /nfs/dbraw/zinc/54/08/96/1198540896.db2.gz VWDSJQJYMFCARH-ZDUSSCGKSA-N 2 0 328.416 2.379 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)cc1C ZINC000968921974 1221673758 /nfs/dbraw/zinc/67/37/58/1221673758.db2.gz PPIXGUOKFKEAJI-QGZVFWFLSA-N 2 0 345.487 2.178 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]34CCOC4)c(F)c2)CC1 ZINC001236942701 1305738755 /nfs/dbraw/zinc/73/87/55/1305738755.db2.gz MPAKYVRFRNITRR-IBGZPJMESA-N 2 0 333.451 2.332 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1CN(C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155192 1305808639 /nfs/dbraw/zinc/80/86/39/1305808639.db2.gz PBACWUNFWMYHKS-FQEVSTJZSA-N 2 0 328.504 2.203 20 10 EECDRP COc1cc(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393031 1305916589 /nfs/dbraw/zinc/91/65/89/1305916589.db2.gz QIRVVQWUABQFSP-RDJZCZTQSA-N 2 0 333.476 2.036 20 10 EECDRP CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCC12C[NH2+]C2 ZINC001237431240 1305930219 /nfs/dbraw/zinc/93/02/19/1305930219.db2.gz PTBKJISIFGAQQV-KRWDZBQOSA-N 2 0 345.487 2.036 20 10 EECDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc(F)cc(Cl)c1[O-] ZINC001237800229 1306098763 /nfs/dbraw/zinc/09/87/63/1306098763.db2.gz MQOFHQGWVFKXPF-JKSUJKDBSA-N 2 0 341.858 2.395 20 10 EECDRP Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001139132608 1314708938 /nfs/dbraw/zinc/70/89/38/1314708938.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 2 0 328.412 2.335 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC(C)(C)C[C@]3(C)CO)cc2)CC1 ZINC001139409223 1314740731 /nfs/dbraw/zinc/74/07/31/1314740731.db2.gz XAIQJMKNNRLOIW-HXUWFJFHSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC001140304107 1314862721 /nfs/dbraw/zinc/86/27/21/1314862721.db2.gz IJRLFNVJCVGXKI-OAQYLSRUSA-N 2 0 342.531 2.499 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCCN(C)[C@H]4C3)cc2)CC1 ZINC001140309720 1314865123 /nfs/dbraw/zinc/86/51/23/1314865123.db2.gz RWDPPJVTLQDYBR-CTNGQTDRSA-N 2 0 342.531 2.355 20 10 EECDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]21 ZINC000843060241 1315832752 /nfs/dbraw/zinc/83/27/52/1315832752.db2.gz YYHMFBWVUUSZQV-LZLYRXPVSA-N 2 0 333.451 2.222 20 10 EECDRP C[NH+](C)CCN1CC[N@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143112136 1315865708 /nfs/dbraw/zinc/86/57/08/1315865708.db2.gz MEXULNZNEDJVLK-UHFFFAOYSA-N 2 0 347.503 2.286 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001157894330 1318920634 /nfs/dbraw/zinc/92/06/34/1318920634.db2.gz ZVPLGKLZRDCTRQ-SFHVURJKSA-N 2 0 347.503 2.472 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206003160 1323367212 /nfs/dbraw/zinc/36/72/12/1323367212.db2.gz FMKJYNQBEACAAP-JKSUJKDBSA-N 2 0 335.467 2.469 20 10 EECDRP CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210216875 1325202047 /nfs/dbraw/zinc/20/20/47/1325202047.db2.gz AULFRYMISHFQQZ-SFHVURJKSA-N 2 0 347.503 2.426 20 10 EECDRP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001317403427 1332216045 /nfs/dbraw/zinc/21/60/45/1332216045.db2.gz YEFAQQMRBUNTEX-WMZOPIPTSA-N 2 0 347.503 2.472 20 10 EECDRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834171 1337582076 /nfs/dbraw/zinc/58/20/76/1337582076.db2.gz KQNQZLURFBYSSZ-RYRKJORJSA-N 2 0 348.510 2.383 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001731435215 1405856280 /nfs/dbraw/zinc/85/62/80/1405856280.db2.gz QTUYKYFMSWRHTI-KRWDZBQOSA-N 2 0 345.487 2.036 20 10 EECDRP CCC[N@H+](C)CC(=O)NCCC1=CCN(c2cc(C)nc(C)n2)CC1 ZINC001089840560 777612719 /nfs/dbraw/zinc/61/27/19/777612719.db2.gz VNHBLHARXYOWOD-UHFFFAOYSA-N 2 0 345.491 2.078 20 10 EECDRP CCCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c(O)c1 ZINC000093133196 528664384 /nfs/dbraw/zinc/66/43/84/528664384.db2.gz OWFLVLZSLSMGNK-SFHVURJKSA-N 2 0 347.503 2.393 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000775736286 577444292 /nfs/dbraw/zinc/44/42/92/577444292.db2.gz BKBBUJZUIMNAMC-RTBURBONSA-N 2 0 347.528 2.145 20 10 EECDRP C[NH+](C)CC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768304189 577553507 /nfs/dbraw/zinc/55/35/07/577553507.db2.gz YJSJEDURPYFYSM-UHFFFAOYSA-N 2 0 335.467 2.436 20 10 EECDRP CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000769525574 577579702 /nfs/dbraw/zinc/57/97/02/577579702.db2.gz IPWUDOVPQRTNOM-LPHOPBHVSA-N 2 0 347.503 2.249 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1C ZINC000989798830 692331067 /nfs/dbraw/zinc/33/10/67/692331067.db2.gz GLJKYIJQPQODCL-SJLPKXTDSA-N 2 0 345.487 2.178 20 10 EECDRP CSC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CC[NH+](C)CC1 ZINC000810171530 1199310602 /nfs/dbraw/zinc/31/06/02/1199310602.db2.gz ZSDLUOKBSNENHS-UHFFFAOYSA-N 2 0 349.544 2.440 20 10 EECDRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876989107 1199837839 /nfs/dbraw/zinc/83/78/39/1199837839.db2.gz UYCJIBRTMWIHJQ-SFHVURJKSA-N 2 0 331.504 2.469 20 10 EECDRP Cc1c(O)ccc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1O ZINC001276118309 1205782206 /nfs/dbraw/zinc/78/22/06/1205782206.db2.gz WNXUJMIYXWYPLW-UHFFFAOYSA-N 2 0 347.503 2.256 20 10 EECDRP CN(C)c1cc(F)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000858133473 1294017080 /nfs/dbraw/zinc/01/70/80/1294017080.db2.gz QSXILXGOKIIJCT-OAHLLOKOSA-N 2 0 341.446 2.357 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189552 1305141444 /nfs/dbraw/zinc/14/14/44/1305141444.db2.gz LYOISFZELLOLQJ-UHFFFAOYSA-N 3 0 328.504 2.204 20 10 EECDRP CCN(Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008046 1305474405 /nfs/dbraw/zinc/47/44/05/1305474405.db2.gz PUSPNHBJEXIKBI-FQEVSTJZSA-N 2 0 330.520 2.402 20 10 EECDRP CCN(CC)c1ccc(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001236931566 1305734490 /nfs/dbraw/zinc/73/44/90/1305734490.db2.gz GDVFUZLCKODBGZ-LJQANCHMSA-N 2 0 348.535 2.354 20 10 EECDRP CC(C)[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236932465 1305735480 /nfs/dbraw/zinc/73/54/80/1305735480.db2.gz OWFQZTKCAGDBGF-UHFFFAOYSA-N 2 0 334.483 2.104 20 10 EECDRP OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237391072 1305916988 /nfs/dbraw/zinc/91/69/88/1305916988.db2.gz JYFQSNBXYQLYII-XLIONFOSSA-N 2 0 329.488 2.222 20 10 EECDRP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)CCC12C[NH2+]C2 ZINC001237429178 1305928355 /nfs/dbraw/zinc/92/83/55/1305928355.db2.gz DPXZWCPARXTPMQ-QGZVFWFLSA-N 2 0 346.471 2.490 20 10 EECDRP CC[N@H+](CCC(=O)OC)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140309653 1314865328 /nfs/dbraw/zinc/86/53/28/1314865328.db2.gz PCCGQDJLCKYTBD-UHFFFAOYSA-N 2 0 333.476 2.214 20 10 EECDRP COCC1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC[NH2+]CC1 ZINC000841068363 1315467331 /nfs/dbraw/zinc/46/73/31/1315467331.db2.gz MIIXVODXUSQAKH-UHFFFAOYSA-N 2 0 347.503 2.270 20 10 EECDRP OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000843343119 1315894457 /nfs/dbraw/zinc/89/44/57/1315894457.db2.gz SWTYOTIQTFVIAW-SLFFLAALSA-N 2 0 343.515 2.373 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206021688 1323371609 /nfs/dbraw/zinc/37/16/09/1323371609.db2.gz ATAORGPAMJQGMO-DLBZAZTESA-N 3 0 348.510 2.384 20 10 EECDRP Cc1noc([C@@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n1 ZINC000794141420 1367713989 /nfs/dbraw/zinc/71/39/89/1367713989.db2.gz VJZHSTVZRSSMJC-QGZVFWFLSA-N 2 0 341.459 2.119 20 10 EECDRP CC[N@H+]1C[C@@H]2C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341130 1372384671 /nfs/dbraw/zinc/38/46/71/1372384671.db2.gz IFDZQNMUWZPGMZ-HDICACEKSA-N 2 0 341.499 2.475 20 10 EECDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Br)ccc1O ZINC000809741381 783349626 /nfs/dbraw/zinc/34/96/26/783349626.db2.gz OAEJKXVGNCDKGR-UHFFFAOYSA-N 2 0 344.297 2.080 20 10 EECDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825114233 788443159 /nfs/dbraw/zinc/44/31/59/788443159.db2.gz PGRWCUMVJWKDMT-CQSZACIVSA-N 2 0 325.884 2.470 20 10 EECDRP COc1ccc(Br)c(CN2CC[C@H]([NH3+])[C@@H](F)CC2)c1O ZINC001206189953 797234812 /nfs/dbraw/zinc/23/48/12/797234812.db2.gz YSEBYAYMMFQFHZ-RYUDHWBXSA-N 2 0 347.228 2.425 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCC(=O)OC(C)(C)C)cc2)CC1 ZINC000771842967 577233921 /nfs/dbraw/zinc/23/39/21/577233921.db2.gz OLHQWYRLGUPGFC-UHFFFAOYSA-N 2 0 333.476 2.260 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000767714561 577543472 /nfs/dbraw/zinc/54/34/72/577543472.db2.gz NCOWTZLBKIGOBB-FQEVSTJZSA-N 2 0 343.446 2.401 20 10 EECDRP CCn1cnc2c1CCN(Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000897333220 687132055 /nfs/dbraw/zinc/13/20/55/687132055.db2.gz CZUPBQVQAOKMGW-UHFFFAOYSA-N 2 0 339.487 2.213 20 10 EECDRP COc1cc(O)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)cc1OC ZINC000811513811 1200119719 /nfs/dbraw/zinc/11/97/19/1200119719.db2.gz RIJGDPHEJBMJSO-UHFFFAOYSA-N 2 0 340.489 2.326 20 10 EECDRP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000796466921 1218472180 /nfs/dbraw/zinc/47/21/80/1218472180.db2.gz XGKOUGYAJRLXRA-IBGZPJMESA-N 2 0 339.487 2.413 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000850406907 1277217271 /nfs/dbraw/zinc/21/72/71/1277217271.db2.gz YRISBHZRDIQSHV-HKUYNNGSSA-N 2 0 329.488 2.364 20 10 EECDRP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CC[N@@H+]2Cc1ccccc1O ZINC001277440826 1303026836 /nfs/dbraw/zinc/02/68/36/1303026836.db2.gz FUXSSMIQVBZOQD-FXAWDEMLSA-N 2 0 345.487 2.157 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235045680 1305096763 /nfs/dbraw/zinc/09/67/63/1305096763.db2.gz LURBQEQXSHTBQS-HXUWFJFHSA-N 3 0 328.504 2.204 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)c(F)c2)CC1 ZINC001236941789 1305739147 /nfs/dbraw/zinc/73/91/47/1305739147.db2.gz FPTKSRWTJSKKAJ-IRXDYDNUSA-N 2 0 333.451 2.046 20 10 EECDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001237124974 1305806168 /nfs/dbraw/zinc/80/61/68/1305806168.db2.gz PZSYOAOOEKXGEG-LSDHHAIUSA-N 2 0 341.858 2.395 20 10 EECDRP COc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256759 1314721940 /nfs/dbraw/zinc/72/19/40/1314721940.db2.gz JQMURZGBUDRVPN-QGZVFWFLSA-N 2 0 333.476 2.133 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+](CCO)Cc3cccs3)cc2)CC1 ZINC001139409347 1314740857 /nfs/dbraw/zinc/74/08/57/1314740857.db2.gz JXQVQWDLUQOHNU-UHFFFAOYSA-N 2 0 345.512 2.494 20 10 EECDRP CC[N@H+](CCCC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409242 1314740901 /nfs/dbraw/zinc/74/09/01/1314740901.db2.gz XSNUHBLNORJQPM-UHFFFAOYSA-N 2 0 333.476 2.214 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CCOC4)C3)cc2)CC1 ZINC001140301991 1314860086 /nfs/dbraw/zinc/86/00/86/1314860086.db2.gz GXVMTSCIFQAWQB-HXUWFJFHSA-N 2 0 329.488 2.441 20 10 EECDRP CC[N@H+](CCn1ccnc1)Cc1ccc(N2CCOCC2)cc1F ZINC001140664800 1314925358 /nfs/dbraw/zinc/92/53/58/1314925358.db2.gz SIVCLPYYPSFAFV-UHFFFAOYSA-N 2 0 332.423 2.381 20 10 EECDRP CCOCc1cc(C[NH2+]CC2(COC)CC[NH2+]CC2)ccc1OC ZINC000841067508 1315466806 /nfs/dbraw/zinc/46/68/06/1315466806.db2.gz BFFQTLIRORWZHP-UHFFFAOYSA-N 2 0 336.476 2.338 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cc2)CC1 ZINC000843044108 1315827897 /nfs/dbraw/zinc/82/78/97/1315827897.db2.gz SZSFDWJXCKESCE-UHFFFAOYSA-N 3 0 328.504 2.155 20 10 EECDRP CC[NH2+]CC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843055359 1315830996 /nfs/dbraw/zinc/83/09/96/1315830996.db2.gz IAPVZHASTASOHC-UHFFFAOYSA-N 2 0 335.467 2.484 20 10 EECDRP COc1ccc(C[NH2+]CC2CCN(C(=O)CC[NH+](C)C)CC2)cc1C ZINC001206153072 1323407713 /nfs/dbraw/zinc/40/77/13/1323407713.db2.gz QQZDAKGTYRDBTQ-UHFFFAOYSA-N 2 0 347.503 2.284 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCCC[C@](F)(C[NH3+])C3)cc2)CC1 ZINC001206352296 1323467019 /nfs/dbraw/zinc/46/70/19/1323467019.db2.gz SWCAHFRZFWGIEQ-FQEVSTJZSA-N 2 0 348.510 2.481 20 10 EECDRP COc1ccc(N2CCN(CC[NH2+][C@@H]3CCCCC[C@H]3[NH3+])CC2)cc1 ZINC000817892795 785048327 /nfs/dbraw/zinc/04/83/27/785048327.db2.gz CLAWXIOCVBDGFN-WOJBJXKFSA-N 2 0 346.519 2.067 20 10 EECDRP Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCCc3ccc(C[NH3+])nc32)n1 ZINC001169584533 803889672 /nfs/dbraw/zinc/88/96/72/803889672.db2.gz TUPNTPZFNGTIBZ-OAHLLOKOSA-N 2 0 338.459 2.190 20 10 EECDRP COc1c([O-])c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490505 464120372 /nfs/dbraw/zinc/12/03/72/464120372.db2.gz ONMHBTICUBCLHW-JSGCOSHPSA-N 2 0 335.404 2.225 20 10 EECDRP COc1c(O)c(C[NH2+]Cc2cnc3n2CCCC3)ccc1[N+](=O)[O-] ZINC000367436621 466337568 /nfs/dbraw/zinc/33/75/68/466337568.db2.gz GOTZCLSTQHEFDM-UHFFFAOYSA-N 2 0 332.360 2.132 20 10 EECDRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)cc1O ZINC000774376153 577397264 /nfs/dbraw/zinc/39/72/64/577397264.db2.gz FKUMZVMAKKAVET-LLVKDONJSA-N 2 0 331.254 2.384 20 10 EECDRP CC(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CC[NH+](C)CC1 ZINC000113319833 1195204963 /nfs/dbraw/zinc/20/49/63/1195204963.db2.gz FMYZIWJZABTVLK-INIZCTEOSA-N 2 0 325.884 2.407 20 10 EECDRP CCc1ccc(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c(O)c1 ZINC001274653396 1205117297 /nfs/dbraw/zinc/11/72/97/1205117297.db2.gz JUZDEUZPBOZMOW-FQEVSTJZSA-N 2 0 345.487 2.083 20 10 EECDRP COc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001275276446 1205295684 /nfs/dbraw/zinc/29/56/84/1205295684.db2.gz ZGVAAPGIOWCEQG-HXUWFJFHSA-N 2 0 347.503 2.250 20 10 EECDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275959583 1205603310 /nfs/dbraw/zinc/60/33/10/1205603310.db2.gz DWLLGDRYNAPTDR-CTNGQTDRSA-N 2 0 342.531 2.355 20 10 EECDRP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CC[NH+](C)CC1 ZINC000093088940 1214761950 /nfs/dbraw/zinc/76/19/50/1214761950.db2.gz SCVNTIYXNLTHCX-UHFFFAOYSA-N 2 0 335.467 2.436 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CCCO)CC3)cc2)CC1 ZINC000783599472 1304307281 /nfs/dbraw/zinc/30/72/81/1304307281.db2.gz OLHDKXZCMPCYBT-UHFFFAOYSA-N 2 0 331.504 2.423 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(CC)cc3O)C[C@@H]1CC[NH2+]CC2 ZINC001235353324 1305203175 /nfs/dbraw/zinc/20/31/75/1305203175.db2.gz YIZRFNCSQODXCV-PXNSSMCTSA-N 2 0 346.471 2.319 20 10 EECDRP [NH3+]CCN(CC[NH3+])Cc1c(O)ccc2cc(Br)ccc21 ZINC001235877347 1305436447 /nfs/dbraw/zinc/43/64/47/1305436447.db2.gz JBGPGWQZLOFKMW-UHFFFAOYSA-N 2 0 338.249 2.027 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC([NH+]4CCC4)CC3)cc2)CC1 ZINC001140309383 1314865108 /nfs/dbraw/zinc/86/51/08/1314865108.db2.gz DNYCGTHSPDYIIP-UHFFFAOYSA-N 2 0 342.531 2.499 20 10 EECDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(N3CCOCC3)cc1F)CC2 ZINC001140664352 1314925270 /nfs/dbraw/zinc/92/52/70/1314925270.db2.gz GOLLVNRVSQMRHV-UHFFFAOYSA-N 2 0 333.451 2.190 20 10 EECDRP C[NH+](C)CCN1CC[NH+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074502 1315036652 /nfs/dbraw/zinc/03/66/52/1315036652.db2.gz KBLRNHSSWXCKGG-UHFFFAOYSA-N 2 0 342.531 2.065 20 10 EECDRP C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001328792089 1334522093 /nfs/dbraw/zinc/52/20/93/1334522093.db2.gz MHTVNIAOPJNYEX-DOTOQJQBSA-N 2 0 335.467 2.028 20 10 EECDRP CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H]1CCC[N@@H+]1C ZINC001345229009 1337431910 /nfs/dbraw/zinc/43/19/10/1337431910.db2.gz KNFDPJVJCPCWGD-QGZVFWFLSA-N 2 0 334.483 2.104 20 10 EECDRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000817865532 785031480 /nfs/dbraw/zinc/03/14/80/785031480.db2.gz KNRUDRBXBNPHCU-AOIWGVFYSA-N 3 0 330.520 2.244 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2F)CC1 ZINC000817902480 785055507 /nfs/dbraw/zinc/05/55/07/785055507.db2.gz REYUAMVDEVZQPD-AEFFLSMTSA-N 3 0 334.483 2.185 20 10 EECDRP COc1cccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1O ZINC000846144628 790073838 /nfs/dbraw/zinc/07/38/38/790073838.db2.gz JREYSICVABPRMS-OAHLLOKOSA-N 2 0 335.492 2.325 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@@H](N)CC3)cc2)CC1 ZINC001206173741 797056842 /nfs/dbraw/zinc/05/68/42/797056842.db2.gz JVQGEQNUPHDGNA-MOPGFXCFSA-N 2 0 334.483 2.090 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823465 577232795 /nfs/dbraw/zinc/23/27/95/577232795.db2.gz CWARXCJOVSBXBV-QUCCMNQESA-N 3 0 328.504 2.155 20 10 EECDRP Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771832669 577233296 /nfs/dbraw/zinc/23/32/96/577233296.db2.gz NPEDDHMRRYQLLE-QGZVFWFLSA-N 2 0 341.503 2.369 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C4OCCO4)C3)cc2)CC1 ZINC000775675425 577442466 /nfs/dbraw/zinc/44/24/66/577442466.db2.gz ZQMWWNHSBNTUNG-GOSISDBHSA-N 2 0 345.487 2.023 20 10 EECDRP CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775711908 577443456 /nfs/dbraw/zinc/44/34/56/577443456.db2.gz KBVLHNOTXOUWRS-ROUUACIJSA-N 2 0 330.520 2.353 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)cc1C ZINC000768466313 577556572 /nfs/dbraw/zinc/55/65/72/577556572.db2.gz YMILOJYCPOTOTA-WMZOPIPTSA-N 2 0 347.503 2.167 20 10 EECDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000769383228 577576672 /nfs/dbraw/zinc/57/66/72/577576672.db2.gz FIFLFZHYKNKLCG-UHFFFAOYSA-N 2 0 347.503 2.066 20 10 EECDRP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000763333057 577719329 /nfs/dbraw/zinc/71/93/29/577719329.db2.gz OPBMLKVAVJICKU-PKOBYXMFSA-N 2 0 331.504 2.467 20 10 EECDRP Oc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000397503878 1176656064 /nfs/dbraw/zinc/65/60/64/1176656064.db2.gz CKVOVMZBXMWGLD-UHFFFAOYSA-N 2 0 342.439 2.215 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C(C)(C)O)CC3)cc2)CC1 ZINC000877754217 1200076157 /nfs/dbraw/zinc/07/61/57/1200076157.db2.gz XJUMUCOSBAZLRL-UHFFFAOYSA-N 2 0 331.504 2.421 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000925761083 1206151214 /nfs/dbraw/zinc/15/12/14/1206151214.db2.gz ADSLZHWZKVENQV-PCCBWWKXSA-N 3 0 342.531 2.449 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1C ZINC000969099753 1221807581 /nfs/dbraw/zinc/80/75/81/1221807581.db2.gz SRHCMTFHKZVZMU-QZTJIDSGSA-N 2 0 345.487 2.178 20 10 EECDRP COC(=O)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1 ZINC000799339901 1305230962 /nfs/dbraw/zinc/23/09/62/1305230962.db2.gz WWQLMXQGAOZOCI-UHFFFAOYSA-N 2 0 345.487 2.261 20 10 EECDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@H](N4CC([NH3+])C4)C3)ccc2O1 ZINC001236077974 1305494729 /nfs/dbraw/zinc/49/47/29/1305494729.db2.gz BMPZKNYCCCHKRC-INIZCTEOSA-N 2 0 343.471 2.184 20 10 EECDRP CCCC[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC001236141397 1305510022 /nfs/dbraw/zinc/51/00/22/1305510022.db2.gz ZBRHGHSBUGXRPP-IBGZPJMESA-N 2 0 330.520 2.402 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1O ZINC001236931478 1305734591 /nfs/dbraw/zinc/73/45/91/1305734591.db2.gz KRWVMQWWWLQOJY-KXBFYZLASA-N 2 0 335.467 2.170 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237404644 1305921713 /nfs/dbraw/zinc/92/17/13/1305921713.db2.gz OHKVMLOMIDZYKY-CTNGQTDRSA-N 3 0 342.531 2.402 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246176449 1310253819 /nfs/dbraw/zinc/25/38/19/1310253819.db2.gz XQZSDPIWENEKQK-UYAOXDASSA-N 3 0 328.504 2.108 20 10 EECDRP COc1cc(C[N@@H+]2CCC3(C2)CCOCC3)cc(C[NH+](C)C)c1O ZINC001139257170 1314722134 /nfs/dbraw/zinc/72/21/34/1314722134.db2.gz UGFILBPBMCVCRX-UHFFFAOYSA-N 2 0 334.460 2.465 20 10 EECDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203010383 1314829188 /nfs/dbraw/zinc/82/91/88/1314829188.db2.gz LNSZMWURHDAQLW-UHFFFAOYSA-N 2 0 347.503 2.426 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCO)C3)cc2)CC1 ZINC001140304060 1314862407 /nfs/dbraw/zinc/86/24/07/1314862407.db2.gz GSXNTTLAYIRDHR-SFHVURJKSA-N 2 0 331.504 2.423 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN(C)CC[NH+]3CCCC3)cc2)CC1 ZINC001140306239 1314863444 /nfs/dbraw/zinc/86/34/44/1314863444.db2.gz QDLRSBCIRDMCDO-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C3CCC3)cc2)CC1 ZINC000843429078 1315912817 /nfs/dbraw/zinc/91/28/17/1315912817.db2.gz RHMAESLCWQUMFN-HXUWFJFHSA-N 2 0 329.488 2.439 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[S@](=O)C(C)(C)C)cc2)CC1 ZINC001308277183 1331581046 /nfs/dbraw/zinc/58/10/46/1331581046.db2.gz IMAZQCYBMCJJHB-QHCPKHFHSA-N 2 0 337.533 2.075 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3(C4CC4)CCOCC3)cc2)CC1 ZINC001325557670 1333911117 /nfs/dbraw/zinc/91/11/17/1333911117.db2.gz AXZWGGJBRTWWHE-UHFFFAOYSA-N 2 0 329.488 2.487 20 10 EECDRP OC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)CC1 ZINC000817895527 785050704 /nfs/dbraw/zinc/05/07/04/785050704.db2.gz VKILVRQNDYFEQD-XYPWUTKMSA-N 2 0 333.451 2.159 20 10 EECDRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000846156456 790066514 /nfs/dbraw/zinc/06/65/14/790066514.db2.gz LTEQOKIDCRDZRW-JQFCIGGWSA-N 2 0 334.460 2.429 20 10 EECDRP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000788593150 807598316 /nfs/dbraw/zinc/59/83/16/807598316.db2.gz FJQLBQOEKGADHQ-HOTGVXAUSA-N 2 0 333.476 2.247 20 10 EECDRP COc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377622026 467098695 /nfs/dbraw/zinc/09/86/95/467098695.db2.gz GROPTZPSDQFMGY-KRWDZBQOSA-N 2 0 333.476 2.001 20 10 EECDRP COC(=O)[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)C ZINC000894791183 683089812 /nfs/dbraw/zinc/08/98/12/683089812.db2.gz PVZUUPKNBMAZGZ-SFHVURJKSA-N 2 0 347.503 2.363 20 10 EECDRP C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000876598002 1199685594 /nfs/dbraw/zinc/68/55/94/1199685594.db2.gz SUAURVQLCHXERC-GOSISDBHSA-N 2 0 331.504 2.421 20 10 EECDRP Oc1ccc(O)c(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275419215 1205351831 /nfs/dbraw/zinc/35/18/31/1205351831.db2.gz SPUKOJZYLKSJPY-UHFFFAOYSA-N 2 0 342.443 2.309 20 10 EECDRP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001275913123 1205582996 /nfs/dbraw/zinc/58/29/96/1205582996.db2.gz IJRADMSBXCQFED-LJQANCHMSA-N 2 0 335.467 2.381 20 10 EECDRP C[NH+](C)CCN1CCC2(C[NH+](Cc3ccc(N4CCCC4)cc3)C2)C1 ZINC001275960214 1205603737 /nfs/dbraw/zinc/60/37/37/1205603737.db2.gz QQXAASBPXNNNIU-UHFFFAOYSA-N 2 0 342.531 2.356 20 10 EECDRP CCc1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276804378 1297995397 /nfs/dbraw/zinc/99/53/97/1297995397.db2.gz BBOPGVXZHMVQAE-UHFFFAOYSA-N 2 0 331.504 2.414 20 10 EECDRP CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277441585 1303029960 /nfs/dbraw/zinc/02/99/60/1303029960.db2.gz OMDHTWJNCQDMAY-QGZVFWFLSA-N 2 0 345.487 2.014 20 10 EECDRP CCc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)c(O)c1 ZINC001236786119 1305676209 /nfs/dbraw/zinc/67/62/09/1305676209.db2.gz DFXYXQUCXIXAJC-UYAOXDASSA-N 2 0 348.487 2.124 20 10 EECDRP C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C[C@H]12 ZINC001236943828 1305740934 /nfs/dbraw/zinc/74/09/34/1305740934.db2.gz WMWXVFRGKQRWPS-LSBZLQRGSA-N 2 0 333.451 2.044 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CCC[C@@H]4C3)c(F)c2)CC1 ZINC001237413074 1305925214 /nfs/dbraw/zinc/92/52/14/1305925214.db2.gz IWZRAAIIVGUHPL-XLIONFOSSA-N 2 0 346.494 2.151 20 10 EECDRP COc1cc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)cc(C[NH+](C)C)c1O ZINC001139255083 1314721843 /nfs/dbraw/zinc/72/18/43/1314721843.db2.gz MNCQBDBPYAWXJQ-IBGZPJMESA-N 2 0 336.476 2.445 20 10 EECDRP COc1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256791 1314722032 /nfs/dbraw/zinc/72/20/32/1314722032.db2.gz KPCODULCHACJKH-QGZVFWFLSA-N 2 0 333.476 2.133 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](F)(CO)CC3)cc2)CC1 ZINC001139408215 1314740237 /nfs/dbraw/zinc/74/02/37/1314740237.db2.gz JPUMQZFQELCBKN-IBGZPJMESA-N 2 0 335.467 2.125 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000840909329 1315433661 /nfs/dbraw/zinc/43/36/61/1315433661.db2.gz HFCJUDIDDJHPQN-UHFFFAOYSA-N 2 0 330.520 2.274 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC001164577477 1321424273 /nfs/dbraw/zinc/42/42/73/1321424273.db2.gz NQDWYFPRTUPEAA-WMZOPIPTSA-N 2 0 347.503 2.330 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206003158 1323367177 /nfs/dbraw/zinc/36/71/77/1323367177.db2.gz FMKJYNQBEACAAP-HZPDHXFCSA-N 2 0 335.467 2.469 20 10 EECDRP CC(C)[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@H]1CCC[NH2+]CC1 ZINC001206598721 1323542026 /nfs/dbraw/zinc/54/20/26/1323542026.db2.gz LPDCZDPLCOFZSO-KRWDZBQOSA-N 3 0 333.476 2.227 20 10 EECDRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809723916 783337155 /nfs/dbraw/zinc/33/71/55/783337155.db2.gz BEZRQCGDLDLHDW-NQIIRXRSSA-N 2 0 342.531 2.497 20 10 EECDRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000817976959 785125993 /nfs/dbraw/zinc/12/59/93/785125993.db2.gz XOTFQCVSWQLZCP-KSSFIOAISA-N 2 0 333.451 2.455 20 10 EECDRP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000788593149 807598353 /nfs/dbraw/zinc/59/83/53/807598353.db2.gz FJQLBQOEKGADHQ-CVEARBPZSA-N 2 0 333.476 2.247 20 10 EECDRP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000763333051 577719319 /nfs/dbraw/zinc/71/93/19/577719319.db2.gz OPBMLKVAVJICKU-IEBWSBKVSA-N 2 0 331.504 2.467 20 10 EECDRP CCOc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001275271430 1205295463 /nfs/dbraw/zinc/29/54/63/1205295463.db2.gz UZTZGZBMKTYYKY-CALCHBBNSA-N 2 0 333.476 2.001 20 10 EECDRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800900186 1234773135 /nfs/dbraw/zinc/77/31/35/1234773135.db2.gz PDOPJOFSDJQBEP-IBGZPJMESA-N 2 0 339.487 2.339 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001222091320 1299341938 /nfs/dbraw/zinc/34/19/38/1299341938.db2.gz QIKRLMTUKJJZPZ-UHFFFAOYSA-N 2 0 346.519 2.069 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[NH+](C)C)cc1 ZINC001122413955 1310277791 /nfs/dbraw/zinc/27/77/91/1310277791.db2.gz GZULDLCYFBRHRL-QZTJIDSGSA-N 2 0 332.492 2.004 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302499 1314861366 /nfs/dbraw/zinc/86/13/66/1314861366.db2.gz SJSIJYIYIXGQLI-PXNSSMCTSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC[C@@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC001140304660 1314861954 /nfs/dbraw/zinc/86/19/54/1314861954.db2.gz XPXNSGWTBJECOQ-TZIWHRDSSA-N 2 0 342.531 2.355 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC4(C[NH+](C)C4)CC3)cc2)CC1 ZINC001140306184 1314862924 /nfs/dbraw/zinc/86/29/24/1314862924.db2.gz NWFNYTHRBAUHAY-UHFFFAOYSA-N 3 0 342.531 2.356 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC001140309580 1314864654 /nfs/dbraw/zinc/86/46/54/1314864654.db2.gz MITFGIFGTUOXQG-HXUWFJFHSA-N 2 0 329.488 2.439 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[C@H]([N@H+](C)C4CC4)C3)cc2)CC1 ZINC001140309470 1314864758 /nfs/dbraw/zinc/86/47/58/1314864758.db2.gz HUCOJJRNZNCNTO-NRFANRHFSA-N 2 0 342.531 2.497 20 10 EECDRP C[N@H+](CCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000835063967 1314896474 /nfs/dbraw/zinc/89/64/74/1314896474.db2.gz SIPOGMVRLKZTHW-UHFFFAOYSA-N 3 0 330.520 2.402 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2)CC1 ZINC000843127906 1315849692 /nfs/dbraw/zinc/84/96/92/1315849692.db2.gz UIJIGSRSCSDRRA-UHFFFAOYSA-N 3 0 328.504 2.014 20 10 EECDRP CCN(CC)c1ccc(C[N@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001203941673 1321995574 /nfs/dbraw/zinc/99/55/74/1321995574.db2.gz FCACUEGGMHBAMJ-UHFFFAOYSA-N 2 0 346.519 2.129 20 10 EECDRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765211 783370543 /nfs/dbraw/zinc/37/05/43/783370543.db2.gz LJXZUUGRXCLWBL-YLJYHZDGSA-N 2 0 330.520 2.210 20 10 EECDRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817944710 785094292 /nfs/dbraw/zinc/09/42/92/785094292.db2.gz KBGOVESWGWTXDK-QGZVFWFLSA-N 2 0 344.503 2.149 20 10 EECDRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817944216 785095319 /nfs/dbraw/zinc/09/53/19/785095319.db2.gz ZUPZYPKSAOTCAJ-MRXNPFEDSA-N 2 0 334.483 2.372 20 10 EECDRP C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1CC[NH3+] ZINC000844902035 789443354 /nfs/dbraw/zinc/44/33/54/789443354.db2.gz NCIMFLJXWUIXKL-FXAWDEMLSA-N 3 0 330.520 2.388 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1C ZINC001130190017 811284022 /nfs/dbraw/zinc/28/40/22/811284022.db2.gz VHVMQSNBQUHKSB-MSOLQXFVSA-N 2 0 345.487 2.226 20 10 EECDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894238696 681425562 /nfs/dbraw/zinc/42/55/62/681425562.db2.gz VGRQSUAEIBZQSP-MRXNPFEDSA-N 2 0 335.492 2.072 20 10 EECDRP c1ncc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)[nH]1 ZINC000894359008 682628187 /nfs/dbraw/zinc/62/81/87/682628187.db2.gz LWAVZWVPVMQQMN-UHFFFAOYSA-N 2 0 325.460 2.232 20 10 EECDRP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001027070089 686116787 /nfs/dbraw/zinc/11/67/87/686116787.db2.gz JAXLHRKZNKKIJG-MSOLQXFVSA-N 2 0 347.503 2.282 20 10 EECDRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000794806299 1198050006 /nfs/dbraw/zinc/05/00/06/1198050006.db2.gz HCDOEKCECKOWNW-RDJZCZTQSA-N 2 0 333.476 2.329 20 10 EECDRP C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000876598003 1199686301 /nfs/dbraw/zinc/68/63/01/1199686301.db2.gz SUAURVQLCHXERC-SFHVURJKSA-N 2 0 331.504 2.421 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)CC1 ZINC000883290775 1202041113 /nfs/dbraw/zinc/04/11/13/1202041113.db2.gz GRDAUWMIJQNMQR-UHFFFAOYSA-N 2 0 328.504 2.155 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001044959921 1233404905 /nfs/dbraw/zinc/40/49/05/1233404905.db2.gz PPCCDVIEUFFUDS-ROUUACIJSA-N 2 0 345.487 2.178 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272339 1299449893 /nfs/dbraw/zinc/44/98/93/1299449893.db2.gz RMGFAAKQIKMTJX-FQEVSTJZSA-N 3 0 328.504 2.062 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC2(CCC[NH2+]C2)CC1 ZINC001222452824 1299596861 /nfs/dbraw/zinc/59/68/61/1299596861.db2.gz KWMCQSFNMNSVBN-UHFFFAOYSA-N 3 0 328.504 2.062 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2)CC1 ZINC001140306194 1314863308 /nfs/dbraw/zinc/86/33/08/1314863308.db2.gz OMXGXLMWOIQORC-OAQYLSRUSA-N 3 0 342.531 2.356 20 10 EECDRP CCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841019671 1315455933 /nfs/dbraw/zinc/45/59/33/1315455933.db2.gz MZGKNBWMMPBJOT-MRXNPFEDSA-N 2 0 333.476 2.192 20 10 EECDRP CC[NH2+]CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000843055247 1315830960 /nfs/dbraw/zinc/83/09/60/1315830960.db2.gz HQILIWYHGYZLDR-UHFFFAOYSA-N 3 0 330.520 2.260 20 10 EECDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159334873 1319745668 /nfs/dbraw/zinc/74/56/68/1319745668.db2.gz KUWRRBAUABLEMA-GOSISDBHSA-N 2 0 347.503 2.474 20 10 EECDRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001262585279 1322328357 /nfs/dbraw/zinc/32/83/57/1322328357.db2.gz YJFFRDIBILNXBD-SJLPKXTDSA-N 2 0 349.523 2.172 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cc2F)CC1 ZINC001328413409 1334456126 /nfs/dbraw/zinc/45/61/26/1334456126.db2.gz QXZZEHMIGVTFLF-MRXNPFEDSA-N 2 0 334.483 2.138 20 10 EECDRP CC[NH+]1C[C@H]2C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341133 1372385718 /nfs/dbraw/zinc/38/57/18/1372385718.db2.gz IFDZQNMUWZPGMZ-ROUUACIJSA-N 2 0 341.499 2.475 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2F)CC1 ZINC000817902481 785055246 /nfs/dbraw/zinc/05/52/46/785055246.db2.gz REYUAMVDEVZQPD-FUHWJXTLSA-N 3 0 334.483 2.185 20 10 EECDRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935365 785080010 /nfs/dbraw/zinc/08/00/10/785080010.db2.gz NNZZDTRMYWQHOZ-BBRMVZONSA-N 2 0 325.403 2.018 20 10 EECDRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000817944215 785095180 /nfs/dbraw/zinc/09/51/80/785095180.db2.gz ZUPZYPKSAOTCAJ-INIZCTEOSA-N 2 0 334.483 2.372 20 10 EECDRP C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000155300671 462872592 /nfs/dbraw/zinc/87/25/92/462872592.db2.gz CRMNODJEGLYONZ-QFBILLFUSA-N 2 0 346.519 2.346 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)c3ccsc3)cc2)CC1 ZINC000771842477 577233791 /nfs/dbraw/zinc/23/37/91/577233791.db2.gz NZWKZQZTQMGJJF-LJQANCHMSA-N 2 0 345.512 2.497 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000891246881 676240336 /nfs/dbraw/zinc/24/03/36/676240336.db2.gz QRAKYHKBFJRKOU-ROUUACIJSA-N 2 0 346.519 2.344 20 10 EECDRP CCOC[C@@H](C)[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000162828001 694327415 /nfs/dbraw/zinc/32/74/15/694327415.db2.gz NKWRUROVIDPOCC-QGZVFWFLSA-N 2 0 335.492 2.222 20 10 EECDRP COc1ccc(O)c([C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000873246509 1198540544 /nfs/dbraw/zinc/54/05/44/1198540544.db2.gz VWDSJQJYMFCARH-CYBMUJFWSA-N 2 0 328.416 2.379 20 10 EECDRP CN(C)c1cccnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000810167874 1199306863 /nfs/dbraw/zinc/30/68/63/1199306863.db2.gz PRIUFNUBSYTDJW-UHFFFAOYSA-N 2 0 339.487 2.189 20 10 EECDRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289760 1202041496 /nfs/dbraw/zinc/04/14/96/1202041496.db2.gz ZOXKRTZJIWNTJN-OAHLLOKOSA-N 2 0 327.476 2.331 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)cc1C ZINC000968907878 1221660921 /nfs/dbraw/zinc/66/09/21/1221660921.db2.gz XIJSFOWLUJQQFK-QGZVFWFLSA-N 2 0 345.487 2.178 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236598154 1305607570 /nfs/dbraw/zinc/60/75/70/1305607570.db2.gz HNZOUVIXKHTYPI-GOSISDBHSA-N 3 0 328.504 2.060 20 10 EECDRP CCN(CCC[NH+](C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236945749 1305742841 /nfs/dbraw/zinc/74/28/41/1305742841.db2.gz MCFHHSBTNZYDGT-UHFFFAOYSA-N 2 0 336.499 2.351 20 10 EECDRP Cc1cc(F)cc(CN2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c1O ZINC001238071065 1306209356 /nfs/dbraw/zinc/20/93/56/1306209356.db2.gz RKLJMNTWWXTZNU-UHFFFAOYSA-N 2 0 349.450 2.001 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256110 1314721913 /nfs/dbraw/zinc/72/19/13/1314721913.db2.gz UCWPKCIWVKXMEA-YJBOKZPZSA-N 2 0 334.460 2.463 20 10 EECDRP C[N@H+](C1CC1)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410863 1314740614 /nfs/dbraw/zinc/74/06/14/1314740614.db2.gz ITBLWDLAGOAKCF-HXUWFJFHSA-N 2 0 328.504 2.107 20 10 EECDRP C[N@H+](C1CC1)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139410722 1314740923 /nfs/dbraw/zinc/74/09/23/1314740923.db2.gz AQPCLYFYJYXWSW-UHFFFAOYSA-N 2 0 342.531 2.497 20 10 EECDRP COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC001139412116 1314741705 /nfs/dbraw/zinc/74/17/05/1314741705.db2.gz FWVXEAKEXJNJBJ-LPHOPBHVSA-N 2 0 345.487 2.212 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)[C@H]3CO)cc2)CC1 ZINC001140302662 1314861282 /nfs/dbraw/zinc/86/12/82/1314861282.db2.gz WZMDFGDSXHTAEN-YLJYHZDGSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@@H]2C1 ZINC001140309655 1314864746 /nfs/dbraw/zinc/86/47/46/1314864746.db2.gz PCJHWAGSGGOCSG-PMACEKPBSA-N 3 0 342.531 2.212 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC([NH2+]CC4CC4)CC3)cc2)CC1 ZINC000843054581 1315830494 /nfs/dbraw/zinc/83/04/94/1315830494.db2.gz UVSMPPHBNZFDBW-UHFFFAOYSA-N 2 0 342.531 2.402 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125762 1315849303 /nfs/dbraw/zinc/84/93/03/1315849303.db2.gz HKBCQFNHHQUEGU-RBUKOAKNSA-N 2 0 329.488 2.345 20 10 EECDRP C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205841426 1323317755 /nfs/dbraw/zinc/31/77/55/1323317755.db2.gz JYPXFRAEHVKMAR-MAUKXSAKSA-N 2 0 334.483 2.137 20 10 EECDRP [NH3+][C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@@H]1F ZINC001206164959 1323409459 /nfs/dbraw/zinc/40/94/59/1323409459.db2.gz LSOZAYPLEQWXSD-DLBZAZTESA-N 2 0 333.451 2.352 20 10 EECDRP CC(C)[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206588965 1323539233 /nfs/dbraw/zinc/53/92/33/1323539233.db2.gz DUPDFABQEBQMDT-HXUWFJFHSA-N 3 0 330.520 2.449 20 10 EECDRP CCc1cccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1O ZINC000848894179 1338796213 /nfs/dbraw/zinc/79/62/13/1338796213.db2.gz KFTCNLPACZTTFY-UHFFFAOYSA-N 2 0 340.471 2.391 20 10 EECDRP Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817971703 785121849 /nfs/dbraw/zinc/12/18/49/785121849.db2.gz GJLBJEISTUMGJL-SWLSCSKDSA-N 2 0 331.382 2.187 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)CC(C)(C)C3)cc2)CC1 ZINC000825091475 788437633 /nfs/dbraw/zinc/43/76/33/788437633.db2.gz ZYMQZIUJUAWFHR-LJQANCHMSA-N 2 0 331.504 2.421 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C ZINC000998731249 793317235 /nfs/dbraw/zinc/31/72/35/793317235.db2.gz MNUVUCUTACSSOD-QZTJIDSGSA-N 2 0 345.487 2.178 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000771845863 577233975 /nfs/dbraw/zinc/23/39/75/577233975.db2.gz JIKKYGOFUBWEEP-SFHVURJKSA-N 2 0 325.460 2.329 20 10 EECDRP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)cc1C ZINC000768463457 577556343 /nfs/dbraw/zinc/55/63/43/577556343.db2.gz UDOUAHQHKQWKIC-JTDSTZFVSA-N 2 0 334.460 2.393 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)CCCC[NH+](C)C)[NH+](C)C)cc1 ZINC000891253414 676249495 /nfs/dbraw/zinc/24/94/95/676249495.db2.gz SILJRADMKGWLCJ-SFHVURJKSA-N 2 0 334.508 2.203 20 10 EECDRP Cc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)c(O)c1 ZINC001272766553 1193487946 /nfs/dbraw/zinc/48/79/46/1193487946.db2.gz QBAMOWIVKGCSCT-UHFFFAOYSA-N 2 0 345.487 2.077 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc4c3OCO4)cc2)CC1 ZINC000883283375 1202040403 /nfs/dbraw/zinc/04/04/03/1202040403.db2.gz CILOILKKNXQCLE-UHFFFAOYSA-N 2 0 339.439 2.457 20 10 EECDRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289324 1202041315 /nfs/dbraw/zinc/04/13/15/1202041315.db2.gz KYDWDBBWCWUMRP-UZLBHIALSA-N 2 0 328.504 2.011 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@H]3CCC[NH2+][C@@H]3C)cc2F)CC1 ZINC000925560062 1206128010 /nfs/dbraw/zinc/12/80/10/1206128010.db2.gz WLBHKWPUQAZISX-QAPCUYQASA-N 2 0 334.483 2.198 20 10 EECDRP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000827544610 1248408292 /nfs/dbraw/zinc/40/82/92/1248408292.db2.gz GGWUDOBUILKEDS-QFBILLFUSA-N 2 0 345.487 2.069 20 10 EECDRP C[C@H](C[NH2+]Cc1cc(F)c(N(C)C)cc1F)CN1CC[NH+](C)CC1 ZINC000858125557 1294014004 /nfs/dbraw/zinc/01/40/04/1294014004.db2.gz GNSTWVLVTKBTGN-CQSZACIVSA-N 2 0 340.462 2.004 20 10 EECDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C)[NH+](C)C ZINC001074709797 1298267219 /nfs/dbraw/zinc/26/72/19/1298267219.db2.gz QUTOMOXSDVPOPP-RYQLBKOJSA-N 2 0 347.503 2.423 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@]34CCC[NH2+]C4)c(F)c2)CC1 ZINC001222252226 1299439939 /nfs/dbraw/zinc/43/99/39/1299439939.db2.gz BCBAMZNZGMIGKR-FQEVSTJZSA-N 2 0 346.494 2.296 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)c(F)c2)CC1 ZINC001236942380 1305738395 /nfs/dbraw/zinc/73/83/95/1305738395.db2.gz IZOBSAPQHPZKMW-GOSISDBHSA-N 2 0 335.467 2.313 20 10 EECDRP CN(CCC[NH+]1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236941310 1305738896 /nfs/dbraw/zinc/73/88/96/1305738896.db2.gz YZRLJYADMGZYPY-UHFFFAOYSA-N 2 0 348.510 2.495 20 10 EECDRP CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236939401 1305739676 /nfs/dbraw/zinc/73/96/76/1305739676.db2.gz QMMBTUHTBJXMTQ-INIZCTEOSA-N 2 0 333.451 2.379 20 10 EECDRP COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC001139410808 1314741194 /nfs/dbraw/zinc/74/11/94/1314741194.db2.gz FWVXEAKEXJNJBJ-VQIMIIECSA-N 2 0 345.487 2.212 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000843126350 1315849099 /nfs/dbraw/zinc/84/90/99/1315849099.db2.gz JOGIXECYVLKVBA-LJQANCHMSA-N 2 0 329.488 2.345 20 10 EECDRP COc1ccc(C[NH2+]CC2(CCNC(=O)CC[NH+](C)C)CC2)cc1C ZINC001166987354 1321832166 /nfs/dbraw/zinc/83/21/66/1321832166.db2.gz RJALWFAPARFGHB-UHFFFAOYSA-N 2 0 347.503 2.331 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1C[NH3+] ZINC001205627414 1323220834 /nfs/dbraw/zinc/22/08/34/1323220834.db2.gz PKGGOISRAFHVLX-HOTGVXAUSA-N 2 0 335.467 2.469 20 10 EECDRP C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205841427 1323317245 /nfs/dbraw/zinc/31/72/45/1323317245.db2.gz JYPXFRAEHVKMAR-QAPCUYQASA-N 2 0 334.483 2.137 20 10 EECDRP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210493712 1325308796 /nfs/dbraw/zinc/30/87/96/1325308796.db2.gz NZTKNDMYGDCGJK-SFHVURJKSA-N 2 0 347.503 2.426 20 10 EECDRP [NH3+]CC1CCC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000817934891 785079699 /nfs/dbraw/zinc/07/96/99/785079699.db2.gz KXSLLZKNLBQDTP-UHFFFAOYSA-N 2 0 339.430 2.409 20 10 EECDRP CC(C)[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000844163283 788881213 /nfs/dbraw/zinc/88/12/13/788881213.db2.gz XKJTVYVZPCUVGI-MOPGFXCFSA-N 2 0 346.519 2.379 20 10 EECDRP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000118868378 462858979 /nfs/dbraw/zinc/85/89/79/462858979.db2.gz LACDAWLTZJACPZ-UHFFFAOYSA-N 2 0 346.519 2.033 20 10 EECDRP Oc1cc2c(cc1C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)OCO2 ZINC000369548796 466738639 /nfs/dbraw/zinc/73/86/39/466738639.db2.gz JZMNUKLHAGDEHZ-UHFFFAOYSA-N 2 0 348.443 2.055 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2F)CC1 ZINC000865456281 1198228096 /nfs/dbraw/zinc/22/80/96/1198228096.db2.gz GXEJSOBBLHPLCQ-UHFFFAOYSA-N 2 0 344.434 2.358 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(C)(C)O)C3)cc2)CC1 ZINC000877797338 1200113297 /nfs/dbraw/zinc/11/32/97/1200113297.db2.gz UEQMMVSIKZNSSH-GOSISDBHSA-N 2 0 331.504 2.421 20 10 EECDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000883283517 1202040287 /nfs/dbraw/zinc/04/02/87/1202040287.db2.gz IIZYPLFRFLFRHE-UHFFFAOYSA-N 2 0 326.444 2.132 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC001018867675 1228470840 /nfs/dbraw/zinc/47/08/40/1228470840.db2.gz UCWUXIVEJZNXSN-BPQIPLTHSA-N 2 0 345.487 2.034 20 10 EECDRP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850379946 1277206880 /nfs/dbraw/zinc/20/68/80/1277206880.db2.gz JWBWRNDZKRHCQQ-UHFFFAOYSA-N 2 0 339.487 2.339 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000854230813 1292681226 /nfs/dbraw/zinc/68/12/26/1292681226.db2.gz ZGRMZRMLNYWZFN-KZNAEPCWSA-N 2 0 329.488 2.125 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2)CC1 ZINC001222265470 1299446087 /nfs/dbraw/zinc/44/60/87/1299446087.db2.gz UCMJGEKYNOVHGH-OAQYLSRUSA-N 2 0 342.531 2.404 20 10 EECDRP Oc1cc2c(cc1C[NH+]1CCC([C@H]3CCCC[NH2+]3)CC1)C[NH2+]CCO2 ZINC001235241235 1305160069 /nfs/dbraw/zinc/16/00/69/1305160069.db2.gz ZNWQAIPGZCJVOI-GOSISDBHSA-N 3 0 345.487 2.228 20 10 EECDRP C[NH+]1CCC2(C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)CC1 ZINC001140288566 1314854504 /nfs/dbraw/zinc/85/45/04/1314854504.db2.gz WKCANOVUSKEEFO-UHFFFAOYSA-N 2 0 329.488 2.175 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCN(C)C(C)(C)C3)cc2)CC1 ZINC001140306051 1314863111 /nfs/dbraw/zinc/86/31/11/1314863111.db2.gz MHQWLEPSKMZYFM-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000840933509 1315439927 /nfs/dbraw/zinc/43/99/27/1315439927.db2.gz GEIGNTYEAHLEDP-SFHVURJKSA-N 2 0 330.520 2.319 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000843046401 1315828385 /nfs/dbraw/zinc/82/83/85/1315828385.db2.gz UNZGPOJIZVYIPZ-FQEVSTJZSA-N 2 0 329.488 2.487 20 10 EECDRP Oc1ccccc1C[N@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001203556347 1321911614 /nfs/dbraw/zinc/91/16/14/1321911614.db2.gz NFXNGLJHCPAXDE-UHFFFAOYSA-N 2 0 341.459 2.028 20 10 EECDRP COc1ccc(N2CCN(CCC[NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000848718633 1338746778 /nfs/dbraw/zinc/74/67/78/1338746778.db2.gz OORYTQUYAFTYRH-ROUUACIJSA-N 2 0 346.519 2.067 20 10 EECDRP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC001580137437 1344480016 /nfs/dbraw/zinc/48/00/16/1344480016.db2.gz LGCNSEYFELWTMG-AWEZNQCLSA-N 2 0 337.851 2.008 20 10 EECDRP CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000373247875 466742000 /nfs/dbraw/zinc/74/20/00/466742000.db2.gz UGSDTKXOTKVDNH-HXUWFJFHSA-N 2 0 330.520 2.353 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CCO)CCCC3)cc2)CC1 ZINC000771843336 577233832 /nfs/dbraw/zinc/23/38/32/577233832.db2.gz ORNZJPKNECRRFL-UHFFFAOYSA-N 2 0 331.504 2.471 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)c3cccs3)cc2)CC1 ZINC000771843057 577233841 /nfs/dbraw/zinc/23/38/41/577233841.db2.gz PWGRZLISZKODBG-IBGZPJMESA-N 2 0 345.512 2.497 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+](CCO)Cc3ccccc3)cc2)CC1 ZINC000775639348 577441520 /nfs/dbraw/zinc/44/15/20/577441520.db2.gz UYWISMMUOYINTQ-UHFFFAOYSA-N 2 0 339.483 2.433 20 10 EECDRP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765800360 577507457 /nfs/dbraw/zinc/50/74/57/577507457.db2.gz ZXAYANKZORSOEC-SJLPKXTDSA-N 2 0 346.519 2.381 20 10 EECDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255988 676252069 /nfs/dbraw/zinc/25/20/69/676252069.db2.gz UPZKILPYJMPZHP-RBUKOAKNSA-N 2 0 346.519 2.346 20 10 EECDRP COc1cc(C)cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000894167772 681976182 /nfs/dbraw/zinc/97/61/82/681976182.db2.gz MTHIRKDOGHAMBK-KRWDZBQOSA-N 2 0 335.492 2.071 20 10 EECDRP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289955 1202041107 /nfs/dbraw/zinc/04/11/07/1202041107.db2.gz GEALAWBTSLLQSZ-KRWDZBQOSA-N 2 0 327.476 2.203 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)CC1 ZINC000883290807 1202041273 /nfs/dbraw/zinc/04/12/73/1202041273.db2.gz IFGWHMQPUCSLGC-ZCNNSNEGSA-N 2 0 341.499 2.486 20 10 EECDRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289323 1202041418 /nfs/dbraw/zinc/04/14/18/1202041418.db2.gz KYDWDBBWCWUMRP-OXQOHEQNSA-N 2 0 328.504 2.011 20 10 EECDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nccn1C ZINC000883290019 1202041483 /nfs/dbraw/zinc/04/14/83/1202041483.db2.gz IHHCUBCAUOWWAI-SFHVURJKSA-N 2 0 327.476 2.413 20 10 EECDRP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001275821543 1205550919 /nfs/dbraw/zinc/55/09/19/1205550919.db2.gz SXKDRGKBEJNROG-FQEVSTJZSA-N 2 0 347.503 2.337 20 10 EECDRP Cc1cccc(C[N@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3)C2)c1O ZINC001276080744 1205764396 /nfs/dbraw/zinc/76/43/96/1205764396.db2.gz TYUBIUZZBOOIHN-HXUWFJFHSA-N 2 0 345.487 2.077 20 10 EECDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000246897445 1213394385 /nfs/dbraw/zinc/39/43/85/1213394385.db2.gz HKSWJDFYYLLZMY-YJBOKZPZSA-N 2 0 335.467 2.482 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1C ZINC001019044389 1228668286 /nfs/dbraw/zinc/66/82/86/1228668286.db2.gz SRHCMTFHKZVZMU-ZWKOTPCHSA-N 2 0 345.487 2.178 20 10 EECDRP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)cc1OC ZINC001236753277 1305659111 /nfs/dbraw/zinc/65/91/11/1305659111.db2.gz JBKZUNZDQSKKKP-UHFFFAOYSA-N 2 0 343.427 2.435 20 10 EECDRP Cc1cc(Cl)cc(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)c1O ZINC001236934245 1305737630 /nfs/dbraw/zinc/73/76/30/1305737630.db2.gz WODANUDDRGQTJB-INIZCTEOSA-N 2 0 325.884 2.470 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC001122414433 1310277821 /nfs/dbraw/zinc/27/78/21/1310277821.db2.gz QMLSXDQWAWKDDO-XPVRDDHDSA-N 2 0 344.503 2.027 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC001140304215 1314861934 /nfs/dbraw/zinc/86/19/34/1314861934.db2.gz IXXFKJRDRISNDI-FQEVSTJZSA-N 2 0 330.520 2.355 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000841846243 1315622303 /nfs/dbraw/zinc/62/23/03/1315622303.db2.gz MVCVICWTKRGBBI-DLBZAZTESA-N 2 0 346.862 2.222 20 10 EECDRP Cc1nc(N(C)C)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC001156655739 1318142936 /nfs/dbraw/zinc/14/29/36/1318142936.db2.gz IDVOKGJKGWIYTG-UHFFFAOYSA-N 2 0 340.475 2.215 20 10 EECDRP Oc1ccccc1C[NH+]1CCC(N[C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254842970 1318202629 /nfs/dbraw/zinc/20/26/29/1318202629.db2.gz CUANNDMOFZGVHQ-LJQANCHMSA-N 2 0 329.488 2.431 20 10 EECDRP C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001328792090 1334522067 /nfs/dbraw/zinc/52/20/67/1334522067.db2.gz MHTVNIAOPJNYEX-NVXWUHKLSA-N 2 0 335.467 2.028 20 10 EECDRP CCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(C)n1 ZINC001355347038 1373154888 /nfs/dbraw/zinc/15/48/88/1373154888.db2.gz ZQXKZGQPBLLSKS-UHFFFAOYSA-N 2 0 327.476 2.253 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001755693584 1407739439 /nfs/dbraw/zinc/73/94/39/1407739439.db2.gz QOEALVGHJZIWDB-AEFFLSMTSA-N 2 0 347.503 2.423 20 10 EECDRP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817934863 785079354 /nfs/dbraw/zinc/07/93/54/785079354.db2.gz KJTWZGVYDRFYCV-CYBMUJFWSA-N 2 0 327.419 2.409 20 10 EECDRP CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@H]([NH3+])CCC[NH3+])N=[N+]=[N-] ZINC001170897775 785236772 /nfs/dbraw/zinc/23/67/72/785236772.db2.gz KBEOEBURWWYTFO-XXYUJHKVSA-N 2 0 347.423 2.348 20 10 EECDRP [NH3+]CC[C@@H]1CN(c2nc(Cl)nc3c2CC[NH2+]CC3)c2ccccc21 ZINC001168544868 789047595 /nfs/dbraw/zinc/04/75/95/789047595.db2.gz MDODARRSRSSZOL-GFCCVEGCSA-N 2 0 343.862 2.402 20 10 EECDRP Oc1cc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001144509050 789909643 /nfs/dbraw/zinc/90/96/43/789909643.db2.gz JJFUDTFJMDCJLF-HOTGVXAUSA-N 2 0 340.423 2.367 20 10 EECDRP CCOCc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1OC ZINC000185863656 463893598 /nfs/dbraw/zinc/89/35/98/463893598.db2.gz DKMFVVSIQOXKBR-QGZVFWFLSA-N 2 0 349.519 2.347 20 10 EECDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000771868299 577235229 /nfs/dbraw/zinc/23/52/29/577235229.db2.gz JWPJFWHPNXLYLC-HZPDHXFCSA-N 2 0 345.409 2.230 20 10 EECDRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)ccc1O ZINC000774376245 577397218 /nfs/dbraw/zinc/39/72/18/577397218.db2.gz HGWJBGUKMXIJMY-LLVKDONJSA-N 2 0 331.254 2.384 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](C4CCC4)CC3)cc2)CC1 ZINC000775702426 577443204 /nfs/dbraw/zinc/44/32/04/577443204.db2.gz VVUQGXOMUZCXEC-UHFFFAOYSA-N 2 0 328.504 2.109 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001022976595 678884156 /nfs/dbraw/zinc/88/41/56/678884156.db2.gz BDPNFMJDSOIUEL-KURKYZTESA-N 2 0 345.487 2.082 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccc3)cc2)CC1 ZINC000905426170 1189722785 /nfs/dbraw/zinc/72/27/85/1189722785.db2.gz DXCBQIFQMLBNFL-FQEVSTJZSA-N 2 0 325.456 2.262 20 10 EECDRP COc1ccc(O)c(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC000702560784 1196014582 /nfs/dbraw/zinc/01/45/82/1196014582.db2.gz FCYWXMZSAZZTCF-HXUWFJFHSA-N 2 0 342.439 2.127 20 10 EECDRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(O)c1 ZINC000877148987 1199870102 /nfs/dbraw/zinc/87/01/02/1199870102.db2.gz ALFBSDOITFCJND-UHFFFAOYSA-N 2 0 341.455 2.282 20 10 EECDRP COc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)sn1 ZINC000883283736 1202040503 /nfs/dbraw/zinc/04/05/03/1202040503.db2.gz REFJMFVWZBWJBF-UHFFFAOYSA-N 2 0 332.473 2.193 20 10 EECDRP Cc1ccc(C[NH+]2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)c(O)c1 ZINC001276168085 1205811173 /nfs/dbraw/zinc/81/11/73/1205811173.db2.gz AFARULSZJBPMSD-UHFFFAOYSA-N 2 0 345.487 2.077 20 10 EECDRP CN(C)c1cc(F)c(C[NH2+]CCCN(C)CC[NH+](C)C)cc1F ZINC000858196721 1294041935 /nfs/dbraw/zinc/04/19/35/1294041935.db2.gz XTEGKFWRWBWDPZ-UHFFFAOYSA-N 2 0 328.451 2.004 20 10 EECDRP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]c(CO)c3)cc2F)CC1 ZINC000858401262 1294107634 /nfs/dbraw/zinc/10/76/34/1294107634.db2.gz XWCYIKYDCPVJIT-UHFFFAOYSA-N 2 0 344.434 2.467 20 10 EECDRP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216511161 1297196830 /nfs/dbraw/zinc/19/68/30/1297196830.db2.gz KSPCMHDLOAJFNW-SJLPKXTDSA-N 2 0 347.503 2.282 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC001222149341 1299388548 /nfs/dbraw/zinc/38/85/48/1299388548.db2.gz XUGKLPZAJPUPAD-NRFANRHFSA-N 3 0 342.531 2.404 20 10 EECDRP COc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001276860841 1299967391 /nfs/dbraw/zinc/96/73/91/1299967391.db2.gz MMPAVUNKSOSTHS-CALCHBBNSA-N 3 0 347.503 2.236 20 10 EECDRP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001277421203 1302950706 /nfs/dbraw/zinc/95/07/06/1302950706.db2.gz OZTNZRHVWSOFPU-HXUWFJFHSA-N 2 0 346.471 2.416 20 10 EECDRP CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12C[NH+](Cc1ccccc1O)C2 ZINC001277441583 1303030279 /nfs/dbraw/zinc/03/02/79/1303030279.db2.gz OMDHTWJNCQDMAY-KRWDZBQOSA-N 2 0 345.487 2.014 20 10 EECDRP COc1cc(CN2CCCC[C@]23CC[NH2+]C3)cc(C[NH+](C)C)c1O ZINC001235117640 1305118773 /nfs/dbraw/zinc/11/87/73/1305118773.db2.gz QEWIFBXNSBLYRU-LJQANCHMSA-N 2 0 333.476 2.180 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[N@@H+]4CCC[C@@H]4C3)c(F)c2)CC1 ZINC001236933950 1305736016 /nfs/dbraw/zinc/73/60/16/1305736016.db2.gz AWJLKZYBDLXZJG-LJQANCHMSA-N 2 0 346.494 2.248 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C(C)(C)O)c(F)c2)CC1 ZINC001236942383 1305738658 /nfs/dbraw/zinc/73/86/58/1305738658.db2.gz IZOBSAPQHPZKMW-SFHVURJKSA-N 2 0 335.467 2.313 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237386880 1305913659 /nfs/dbraw/zinc/91/36/59/1305913659.db2.gz BAHRYIZDUPJNKG-QUCCMNQESA-N 3 0 328.504 2.012 20 10 EECDRP CC[N@H+](CCCC(=O)OC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139254625 1314722217 /nfs/dbraw/zinc/72/22/17/1314722217.db2.gz JRZYUETZLYUZBP-UHFFFAOYSA-N 2 0 338.448 2.238 20 10 EECDRP COCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CC[NH2+]CC1 ZINC000841067786 1315466837 /nfs/dbraw/zinc/46/68/37/1315466837.db2.gz DOUPOCXXXQIEEG-UHFFFAOYSA-N 2 0 328.840 2.160 20 10 EECDRP Fc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1N1CCOCC1 ZINC000843126988 1315848996 /nfs/dbraw/zinc/84/89/96/1315848996.db2.gz NPWMYRCKNNXHNA-SFHVURJKSA-N 2 0 347.478 2.484 20 10 EECDRP [NH3+][C@@H]1Cc2ccccc2N(c2ncnc3sc4c(c32)CC[NH2+]C4)C1 ZINC001162845813 1320972817 /nfs/dbraw/zinc/97/28/17/1320972817.db2.gz WDWSRFXLLFLKKV-GFCCVEGCSA-N 2 0 337.452 2.359 20 10 EECDRP C[NH+](C)CCOCc1ncn2c1C[N@H+](Cc1ccccc1O)CCC2 ZINC001203555878 1321911544 /nfs/dbraw/zinc/91/15/44/1321911544.db2.gz IHRBPQAPVLWFOQ-UHFFFAOYSA-N 2 0 344.459 2.073 20 10 EECDRP CN1CCN(c2ccc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)cc2F)CC1 ZINC001261370489 1322083159 /nfs/dbraw/zinc/08/31/59/1322083159.db2.gz LBMBTMSQZJZXCT-LJQANCHMSA-N 2 0 334.483 2.057 20 10 EECDRP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(C[NH+](C)C)c1O ZINC001205617261 1323217649 /nfs/dbraw/zinc/21/76/49/1323217649.db2.gz IQHJZISDLNITDI-HOCLYGCPSA-N 3 0 335.492 2.269 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001206002731 1323367590 /nfs/dbraw/zinc/36/75/90/1323367590.db2.gz AAIKOYWFQLQOQE-HOCLYGCPSA-N 3 0 335.492 2.269 20 10 EECDRP CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001276576667 1324635916 /nfs/dbraw/zinc/63/59/16/1324635916.db2.gz LFYPKDFMUAEJJU-PBHICJAKSA-N 2 0 327.472 2.227 20 10 EECDRP COCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001321323987 1333075131 /nfs/dbraw/zinc/07/51/31/1333075131.db2.gz GKYDOMXXMNQGSV-HXUWFJFHSA-N 2 0 347.503 2.066 20 10 EECDRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816548344 784110915 /nfs/dbraw/zinc/11/09/15/784110915.db2.gz DPQQVVCQMIFSHM-QGZVFWFLSA-N 2 0 341.455 2.222 20 10 EECDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817893867 785049046 /nfs/dbraw/zinc/04/90/46/785049046.db2.gz JKFXSLHFUQZRPO-KBXCAEBGSA-N 2 0 335.467 2.265 20 10 EECDRP Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817971701 785121750 /nfs/dbraw/zinc/12/17/50/785121750.db2.gz GJLBJEISTUMGJL-IUODEOHRSA-N 2 0 331.382 2.187 20 10 EECDRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(N2CCOCC2)c(F)c1 ZINC000817976960 785126238 /nfs/dbraw/zinc/12/62/38/785126238.db2.gz XOTFQCVSWQLZCP-RDTXWAMCSA-N 2 0 333.451 2.455 20 10 EECDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001176992562 798684257 /nfs/dbraw/zinc/68/42/57/798684257.db2.gz UFLNOULJSNGPDI-GOSISDBHSA-N 2 0 347.503 2.474 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C2CC2)O1 ZINC000793214408 810189908 /nfs/dbraw/zinc/18/99/08/810189908.db2.gz OCHFFUJCQOAQLH-OXQOHEQNSA-N 2 0 329.488 2.438 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cn[nH]c43)cc2)CC1 ZINC000771845861 577234087 /nfs/dbraw/zinc/23/40/87/577234087.db2.gz JIKKYGOFUBWEEP-GOSISDBHSA-N 2 0 325.460 2.329 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C ZINC001026733920 684925334 /nfs/dbraw/zinc/92/53/34/684925334.db2.gz JUTRKJHUSWNCGD-QZTJIDSGSA-N 2 0 345.487 2.036 20 10 EECDRP Cc1ccc(C)c(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c1O ZINC001273049341 1194352705 /nfs/dbraw/zinc/35/27/05/1194352705.db2.gz UNTVHPDSIGYGDA-HXUWFJFHSA-N 2 0 345.487 2.138 20 10 EECDRP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876964241 1199831789 /nfs/dbraw/zinc/83/17/89/1199831789.db2.gz VYBCPYFJOVGFFG-SFHVURJKSA-N 2 0 331.504 2.469 20 10 EECDRP COc1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000866697151 1201582643 /nfs/dbraw/zinc/58/26/43/1201582643.db2.gz HPDQMNZJJSNOQV-INIZCTEOSA-N 2 0 333.476 2.216 20 10 EECDRP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001275174268 1205275020 /nfs/dbraw/zinc/27/50/20/1205275020.db2.gz UTLNVSLYDVGAPH-JLYLLQBASA-N 2 0 329.488 2.363 20 10 EECDRP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc2c(cc1O)CCCC2 ZINC000854231530 1292680508 /nfs/dbraw/zinc/68/05/08/1292680508.db2.gz GKHJLFXWZXYATR-NSHDSACASA-N 2 0 328.416 2.076 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@H]1CC[NH2+]CC2 ZINC001235351001 1305201484 /nfs/dbraw/zinc/20/14/84/1305201484.db2.gz BVSCPEPOIVZGGO-JXFKEZNVSA-N 2 0 346.471 2.374 20 10 EECDRP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235992835 1305470071 /nfs/dbraw/zinc/47/00/71/1305470071.db2.gz MTMQFSFKPXNKNA-UFRUDQCGSA-N 2 0 325.456 2.500 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c(F)c2)CC1 ZINC001236321957 1305560814 /nfs/dbraw/zinc/56/08/14/1305560814.db2.gz XPGSCTHZZORNQC-CALCHBBNSA-N 3 0 346.494 2.009 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@]1(C)O ZINC001236931377 1305734366 /nfs/dbraw/zinc/73/43/66/1305734366.db2.gz JZNQWVIBOMRUKN-KXBFYZLASA-N 2 0 335.467 2.170 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)CC[NH+](C)CC4)c(F)c2)CC1 ZINC001236941947 1305739620 /nfs/dbraw/zinc/73/96/20/1305739620.db2.gz HTMCHBVVALNTEW-UHFFFAOYSA-N 3 0 346.494 2.105 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+](CCC(=O)OC)C3CC3)cc2)CC1 ZINC001140309920 1314864971 /nfs/dbraw/zinc/86/49/71/1314864971.db2.gz ZWKAFXHWXUQGOO-UHFFFAOYSA-N 2 0 345.487 2.356 20 10 EECDRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000841006944 1315453114 /nfs/dbraw/zinc/45/31/14/1315453114.db2.gz QBKLOVQQBVXARQ-MRXNPFEDSA-N 2 0 345.487 2.334 20 10 EECDRP CC(C)(C)OC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001253480389 1317869874 /nfs/dbraw/zinc/86/98/74/1317869874.db2.gz GMKBABFJWBTJNU-QGZVFWFLSA-N 2 0 336.476 2.122 20 10 EECDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)ccc2O1 ZINC001205256107 1322332967 /nfs/dbraw/zinc/33/29/67/1322332967.db2.gz NFXCRWPDKQMQFM-IBGZPJMESA-N 2 0 332.444 2.252 20 10 EECDRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001263260078 1322448744 /nfs/dbraw/zinc/44/87/44/1322448744.db2.gz PYYUAVOKTWQNNI-ROUUACIJSA-N 2 0 334.508 2.235 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001206002730 1323367156 /nfs/dbraw/zinc/36/71/56/1323367156.db2.gz AAIKOYWFQLQOQE-GOEBONIOSA-N 3 0 335.492 2.269 20 10 EECDRP C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001276635449 1324908703 /nfs/dbraw/zinc/90/87/03/1324908703.db2.gz KZYBGQSDUKNVQP-UHFFFAOYSA-N 2 0 329.488 2.441 20 10 EECDRP Cc1cc(C)n(CCC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001308176252 1331568920 /nfs/dbraw/zinc/56/89/20/1331568920.db2.gz JLPFNHNMXPIRMN-UHFFFAOYSA-N 2 0 341.503 2.432 20 10 EECDRP C[NH2+]CCC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001349319896 1337617159 /nfs/dbraw/zinc/61/71/59/1337617159.db2.gz PZDZCPGNGRQRJJ-UHFFFAOYSA-N 2 0 348.510 2.399 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000832282105 1372423084 /nfs/dbraw/zinc/42/30/84/1372423084.db2.gz YHULGZZGNGABLY-QZTJIDSGSA-N 2 0 332.492 2.166 20 10 EECDRP COc1ccc(C[NH+]2CCN(c3cc(C)nc(C)n3)CC2)c(O)c1 ZINC000092703912 780614307 /nfs/dbraw/zinc/61/43/07/780614307.db2.gz KQBYDDUQEMEBIF-UHFFFAOYSA-N 2 0 328.416 2.130 20 10 EECDRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809723918 783337055 /nfs/dbraw/zinc/33/70/55/783337055.db2.gz BEZRQCGDLDLHDW-RXVVDRJESA-N 2 0 342.531 2.497 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC(F)(F)[C@H]3O)cc2)CC1 ZINC000840970778 783349088 /nfs/dbraw/zinc/34/90/88/783349088.db2.gz CYLSBBFYXQJTEW-SJORKVTESA-N 2 0 339.430 2.077 20 10 EECDRP Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000817971705 785121913 /nfs/dbraw/zinc/12/19/13/785121913.db2.gz GJLBJEISTUMGJL-WFASDCNBSA-N 2 0 331.382 2.187 20 10 EECDRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000585118321 786504491 /nfs/dbraw/zinc/50/44/91/786504491.db2.gz KKEJGGNLRKEEDI-UHFFFAOYSA-N 2 0 331.504 2.469 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1C ZINC000969956509 675343486 /nfs/dbraw/zinc/34/34/86/675343486.db2.gz XOJCFUBKSRPLBF-CRAIPNDOSA-N 2 0 345.487 2.036 20 10 EECDRP COc1ccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000866697706 1201582840 /nfs/dbraw/zinc/58/28/40/1201582840.db2.gz WEUVPKYVPJVTFW-UHFFFAOYSA-N 2 0 333.476 2.216 20 10 EECDRP C[NH+](C)CCN1CCC12C[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001276078360 1205762235 /nfs/dbraw/zinc/76/22/35/1205762235.db2.gz OUCPJNLMQZLAEE-UHFFFAOYSA-N 2 0 325.456 2.367 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235045679 1305096537 /nfs/dbraw/zinc/09/65/37/1305096537.db2.gz LURBQEQXSHTBQS-FQEVSTJZSA-N 3 0 328.504 2.204 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3C[C@H]4CC[C@@H](C3)[NH2+]C4)cc2)CC1 ZINC001236060804 1305487972 /nfs/dbraw/zinc/48/79/72/1305487972.db2.gz IKYOQDYZCDPEIF-OALUTQOASA-N 2 0 328.504 2.012 20 10 EECDRP C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)[C@@H]2C1 ZINC001236938142 1305736988 /nfs/dbraw/zinc/73/69/88/1305736988.db2.gz KAASYBBISIHQKR-YLJYHZDGSA-N 2 0 346.494 2.104 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CCO4)C3)c(F)c2)CC1 ZINC001236939514 1305738989 /nfs/dbraw/zinc/73/89/89/1305738989.db2.gz RTDLXOLHLPXDCI-LJQANCHMSA-N 2 0 333.451 2.332 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC([NH+]4CCC4)CC3)c(F)c2)CC1 ZINC001236941504 1305739475 /nfs/dbraw/zinc/73/94/75/1305739475.db2.gz AZKSJTUFBVFAJS-UHFFFAOYSA-N 2 0 346.494 2.248 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246176447 1310253368 /nfs/dbraw/zinc/25/33/68/1310253368.db2.gz XQZSDPIWENEKQK-QUCCMNQESA-N 3 0 328.504 2.108 20 10 EECDRP Cc1ccc(C)c(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c1O ZINC001140184875 1314829839 /nfs/dbraw/zinc/82/98/39/1314829839.db2.gz IZAQYXJQKSLQNB-UHFFFAOYSA-N 2 0 331.504 2.468 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@](C)(O)C3)cc2)CC1 ZINC001140302525 1314861524 /nfs/dbraw/zinc/86/15/24/1314861524.db2.gz SZPFUSGRXYUIGG-XLIONFOSSA-N 2 0 331.504 2.421 20 10 EECDRP C[NH+](C)CC1CC[NH+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140661876 1314924309 /nfs/dbraw/zinc/92/43/09/1314924309.db2.gz WHXDBNKJCYTOIJ-UHFFFAOYSA-N 2 0 335.467 2.436 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C3CCC3)cc2)CC1 ZINC000843429077 1315913235 /nfs/dbraw/zinc/91/32/35/1315913235.db2.gz RHMAESLCWQUMFN-FQEVSTJZSA-N 2 0 329.488 2.439 20 10 EECDRP [NH3+]Cc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ncn1 ZINC001155630833 1317680816 /nfs/dbraw/zinc/68/08/16/1317680816.db2.gz ZZTIJPPTZYMPHZ-IXIUHKBRSA-N 2 0 339.487 2.335 20 10 EECDRP COc1cc(Cl)cc(C[NH+]2CCC3(CC2)C[NH2+]CCO3)c1O ZINC001579155224 1344344630 /nfs/dbraw/zinc/34/46/30/1344344630.db2.gz JDLOSTJYVGQSRS-UHFFFAOYSA-N 2 0 326.824 2.009 20 10 EECDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cc2)C1 ZINC000817889516 785024504 /nfs/dbraw/zinc/02/45/04/785024504.db2.gz OJOQKZGGWOABTN-NZSAHSFTSA-N 2 0 344.503 2.138 20 10 EECDRP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N3CC[NH+](C)CC3)cc1)CC[NH2+]CC2 ZINC000818431660 785254543 /nfs/dbraw/zinc/25/45/43/785254543.db2.gz QVBDHBBFVYQPGR-GOSISDBHSA-N 3 0 342.531 2.402 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001185230412 802408917 /nfs/dbraw/zinc/40/89/17/802408917.db2.gz QTUYKYFMSWRHTI-QGZVFWFLSA-N 2 0 345.487 2.036 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001169906865 804197829 /nfs/dbraw/zinc/19/78/29/804197829.db2.gz ZFISJWYABTXMJQ-GOSISDBHSA-N 2 0 345.487 2.214 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000793214411 810190178 /nfs/dbraw/zinc/19/01/78/810190178.db2.gz OCHFFUJCQOAQLH-UZLBHIALSA-N 2 0 329.488 2.438 20 10 EECDRP CCCOc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c(O)c1 ZINC000185866866 463894100 /nfs/dbraw/zinc/89/41/00/463894100.db2.gz HQFQPNMZBPUVBZ-INIZCTEOSA-N 2 0 335.492 2.297 20 10 EECDRP CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371471057 465817171 /nfs/dbraw/zinc/81/71/71/465817171.db2.gz QMLJLFKFBOBBKZ-LZLYRXPVSA-N 2 0 334.460 2.474 20 10 EECDRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](O)C(F)(F)F ZINC000771868300 577235302 /nfs/dbraw/zinc/23/53/02/577235302.db2.gz JWPJFWHPNXLYLC-JKSUJKDBSA-N 2 0 345.409 2.230 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2)CC1 ZINC000775742334 577444459 /nfs/dbraw/zinc/44/44/59/577444459.db2.gz UEWQWQKBMLSYMB-PZJWPPBQSA-N 3 0 342.531 2.355 20 10 EECDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768445864 577555928 /nfs/dbraw/zinc/55/59/28/577555928.db2.gz IQZPYFOYHZKNEO-SFHVURJKSA-N 2 0 334.460 2.370 20 10 EECDRP C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894769370 683076123 /nfs/dbraw/zinc/07/61/23/683076123.db2.gz FNAPBUPWXHTTGX-MRXNPFEDSA-N 2 0 339.430 2.271 20 10 EECDRP COc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000894770524 683076396 /nfs/dbraw/zinc/07/63/96/683076396.db2.gz PRQXDENXIYZEMU-GOSISDBHSA-N 2 0 347.503 2.310 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3Cc4ccccc4[C@H]3O)cc2)CC1 ZINC000898392310 693298880 /nfs/dbraw/zinc/29/88/80/693298880.db2.gz RGOYJSPPVFYFRI-NHCUHLMSSA-N 2 0 337.467 2.186 20 10 EECDRP COc1ccc(O)c(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1 ZINC001275278557 1205296830 /nfs/dbraw/zinc/29/68/30/1205296830.db2.gz NFCUTHPGBMLENX-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001045311692 1233658216 /nfs/dbraw/zinc/65/82/16/1233658216.db2.gz OODDAOLAYXTFOE-ROUUACIJSA-N 2 0 345.487 2.036 20 10 EECDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)ccc2O1 ZINC001222109352 1299360901 /nfs/dbraw/zinc/36/09/01/1299360901.db2.gz FYNNVVJHJHKNCO-UHFFFAOYSA-N 2 0 343.471 2.104 20 10 EECDRP CC[NH+](CC)CCN1CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232258471 1304055615 /nfs/dbraw/zinc/05/56/15/1304055615.db2.gz IMEUFRZFRAWLAN-UHFFFAOYSA-N 2 0 341.883 2.211 20 10 EECDRP CCCCC[NH+]1CCN(Cc2cc3c(cc2O)OCC[NH2+]C3)CC1 ZINC001235690596 1305332954 /nfs/dbraw/zinc/33/29/54/1305332954.db2.gz JNWHVXGDPAIELQ-UHFFFAOYSA-N 2 0 333.476 2.182 20 10 EECDRP CC(=O)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236933980 1305735491 /nfs/dbraw/zinc/73/54/91/1305735491.db2.gz BIWKUXINTQKARR-UHFFFAOYSA-N 2 0 333.451 2.379 20 10 EECDRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000841006941 1315452776 /nfs/dbraw/zinc/45/27/76/1315452776.db2.gz QBKLOVQQBVXARQ-INIZCTEOSA-N 2 0 345.487 2.334 20 10 EECDRP COc1cc(O)c(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC001205053893 1322273519 /nfs/dbraw/zinc/27/35/19/1322273519.db2.gz TXDBOKQLRPOGFJ-UHFFFAOYSA-N 2 0 329.238 2.334 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206003701 1323366974 /nfs/dbraw/zinc/36/69/74/1323366974.db2.gz LKMQFLVPYLWBAT-WMZOPIPTSA-N 2 0 331.504 2.455 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001209455517 1324937139 /nfs/dbraw/zinc/93/71/39/1324937139.db2.gz UQCIUFMTXBCSQK-QGZVFWFLSA-N 2 0 333.476 2.036 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)CC2([NH+](C)C)CCCC2)cc1C ZINC001131840550 783313134 /nfs/dbraw/zinc/31/31/34/783313134.db2.gz NYCKNWSBGWCQIQ-UHFFFAOYSA-N 2 0 347.503 2.474 20 10 EECDRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C[NH3+] ZINC000817865985 785032604 /nfs/dbraw/zinc/03/26/04/785032604.db2.gz QUYLOJGHKHNWOV-VYDXJSESSA-N 2 0 335.467 2.468 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)cc1C ZINC001129328080 802592827 /nfs/dbraw/zinc/59/28/27/802592827.db2.gz LQYWHRQNSISTHH-SFHVURJKSA-N 2 0 347.503 2.187 20 10 EECDRP COc1c(C2C[NH2+]C2)ncnc1N1CCC[C@@H]([NH3+])c2cc(C)ccc21 ZINC001169699435 803973348 /nfs/dbraw/zinc/97/33/48/803973348.db2.gz YQYIUWGFXRXMCL-OAHLLOKOSA-N 2 0 339.443 2.412 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378374173 467283809 /nfs/dbraw/zinc/28/38/09/467283809.db2.gz VLDQDXWORPJESU-HHXXYDBFSA-N 2 0 334.460 2.474 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@H]3C)cc2F)CC1 ZINC000192542334 529153149 /nfs/dbraw/zinc/15/31/49/529153149.db2.gz RWXQYSLINXLQNL-CRAIPNDOSA-N 2 0 335.467 2.482 20 10 EECDRP Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000771841535 577233626 /nfs/dbraw/zinc/23/36/26/577233626.db2.gz JAHCEGDCDUVKLU-SFHVURJKSA-N 2 0 329.444 2.163 20 10 EECDRP CN(C)c1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1F ZINC000769946602 577587778 /nfs/dbraw/zinc/58/77/78/577587778.db2.gz HXGHXZLIBSYOKM-UHFFFAOYSA-N 2 0 336.499 2.397 20 10 EECDRP COc1cc(C)cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000894167775 681976148 /nfs/dbraw/zinc/97/61/48/681976148.db2.gz MTHIRKDOGHAMBK-QGZVFWFLSA-N 2 0 335.492 2.071 20 10 EECDRP COc1ccc(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000879461349 1201080243 /nfs/dbraw/zinc/08/02/43/1201080243.db2.gz AYZSGMDHIZXSTN-MRXNPFEDSA-N 2 0 333.476 2.310 20 10 EECDRP COc1ccc(N2CCC([NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)CC2)cc1 ZINC000925565728 1206129160 /nfs/dbraw/zinc/12/91/60/1206129160.db2.gz XDRJNEZIWVHDSE-LSZNHHPASA-N 2 0 327.472 2.250 20 10 EECDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1O ZINC001232361956 1304095401 /nfs/dbraw/zinc/09/54/01/1304095401.db2.gz GTDCFQQMIFKYJI-UHFFFAOYSA-N 2 0 326.444 2.171 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCCC[C@]12CCC[NH2+]C2 ZINC001235169157 1305136426 /nfs/dbraw/zinc/13/64/26/1305136426.db2.gz WEPANPZEILCBSM-HXUWFJFHSA-N 2 0 328.504 2.204 20 10 EECDRP Oc1ccc(-c2ccc(F)cc2)cc1C[NH+]1CC(N2CC[NH2+]CC2)C1 ZINC001236162018 1305518272 /nfs/dbraw/zinc/51/82/72/1305518272.db2.gz WDQLYPRBZBOROZ-UHFFFAOYSA-N 2 0 341.430 2.288 20 10 EECDRP COc1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256790 1314722178 /nfs/dbraw/zinc/72/21/78/1314722178.db2.gz KPCODULCHACJKH-KRWDZBQOSA-N 2 0 333.476 2.133 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)cc(C[NH+](C)C)c1O ZINC001139258962 1314722832 /nfs/dbraw/zinc/72/28/32/1314722832.db2.gz CEYMAPWVZOARLI-LJQANCHMSA-N 2 0 348.443 2.134 20 10 EECDRP COc1cc(Br)cc(C[NH2+]CCC[NH2+]C2CC2)c1O ZINC000841091979 1315473143 /nfs/dbraw/zinc/47/31/43/1315473143.db2.gz IXCHMAOGHLXCPL-UHFFFAOYSA-N 2 0 329.238 2.395 20 10 EECDRP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)cc1O)C2 ZINC001204274095 1322100061 /nfs/dbraw/zinc/10/00/61/1322100061.db2.gz IEZJMFQMZPWSQN-XLIONFOSSA-N 2 0 346.471 2.278 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000832279295 1372423451 /nfs/dbraw/zinc/42/34/51/1372423451.db2.gz IHYRRLGDMAEVJR-LJQANCHMSA-N 2 0 340.471 2.244 20 10 EECDRP C[C@@H](CO)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CCC1 ZINC000809665056 783293578 /nfs/dbraw/zinc/29/35/78/783293578.db2.gz NPRUBSMESXHHLD-KRWDZBQOSA-N 2 0 331.504 2.421 20 10 EECDRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703913 783320574 /nfs/dbraw/zinc/32/05/74/783320574.db2.gz RTDMMRLQKLIOIH-NQIIRXRSSA-N 2 0 342.531 2.497 20 10 EECDRP CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825005928 788378785 /nfs/dbraw/zinc/37/87/85/788378785.db2.gz VKJBNLWKXZJFOH-IBGZPJMESA-N 2 0 330.520 2.355 20 10 EECDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825114231 788443169 /nfs/dbraw/zinc/44/31/69/788443169.db2.gz PGRWCUMVJWKDMT-AWEZNQCLSA-N 2 0 325.884 2.470 20 10 EECDRP COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001172593051 797024089 /nfs/dbraw/zinc/02/40/89/797024089.db2.gz RWCNLAJIAYIBQJ-QZTJIDSGSA-N 2 0 345.487 2.260 20 10 EECDRP CCOc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000370704796 466972906 /nfs/dbraw/zinc/97/29/06/466972906.db2.gz BKXRUWWZYLRTMK-WMZOPIPTSA-N 2 0 347.503 2.249 20 10 EECDRP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000771839511 577233679 /nfs/dbraw/zinc/23/36/79/577233679.db2.gz WPFVQWWGMCJDSS-OAHLLOKOSA-N 2 0 331.382 2.105 20 10 EECDRP COc1ccc(N2CC[NH+](CCNc3cc[nH+]c(C)c3)CC2)cc1 ZINC000775461363 577437659 /nfs/dbraw/zinc/43/76/59/577437659.db2.gz WOZPZPSFUWUUEZ-UHFFFAOYSA-N 2 0 326.444 2.055 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3C3OCCO3)cc2)CC1 ZINC000775675046 577442430 /nfs/dbraw/zinc/44/24/30/577442430.db2.gz QIOHAHXCGAOOEK-LJQANCHMSA-N 2 0 345.487 2.166 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1C ZINC000989798831 692331493 /nfs/dbraw/zinc/33/14/93/692331493.db2.gz GLJKYIJQPQODCL-WMZOPIPTSA-N 2 0 345.487 2.178 20 10 EECDRP Cc1cccc(O)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000876922341 1199819012 /nfs/dbraw/zinc/81/90/12/1199819012.db2.gz WLNBFLAQEPIKPD-UHFFFAOYSA-N 2 0 326.444 2.137 20 10 EECDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CN1C1CC1 ZINC000883283514 1202040394 /nfs/dbraw/zinc/04/03/94/1202040394.db2.gz IIQFCABADNPYPQ-FUHWJXTLSA-N 2 0 328.504 2.153 20 10 EECDRP [NH3+]CC1(F)CC[NH+](Cc2ccc(N3CCOCC3)cc2Cl)CC1 ZINC001222548523 1299674825 /nfs/dbraw/zinc/67/48/25/1299674825.db2.gz POCLNXDMKFUOKG-UHFFFAOYSA-N 2 0 341.858 2.439 20 10 EECDRP c1cn(CC[N@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc3c(c2)OCCO3)cn1 ZINC001277014258 1300831315 /nfs/dbraw/zinc/83/13/15/1300831315.db2.gz NRDLKOSQTAYZQP-CALCHBBNSA-N 2 0 340.427 2.008 20 10 EECDRP COc1ccc2ccc(O)c(CN(CC[NH+](C)C)CC[NH+](C)C)c2c1 ZINC001234552883 1304964652 /nfs/dbraw/zinc/96/46/52/1304964652.db2.gz NSSDPMMWYJGMGR-UHFFFAOYSA-N 2 0 345.487 2.479 20 10 EECDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC1CCOCC1 ZINC001236933141 1305735446 /nfs/dbraw/zinc/73/54/46/1305735446.db2.gz VLKAWXIJLYPYRA-UHFFFAOYSA-N 2 0 335.467 2.436 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)CCOCC4)c(F)c2)CC1 ZINC001236937737 1305737517 /nfs/dbraw/zinc/73/75/17/1305737517.db2.gz DQVNJHOUXPGSAD-UHFFFAOYSA-N 2 0 333.451 2.190 20 10 EECDRP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236940347 1305739660 /nfs/dbraw/zinc/73/96/60/1305739660.db2.gz ZXOXKYQDGREFRQ-LJQANCHMSA-N 2 0 348.510 2.494 20 10 EECDRP CCOc1ccc(C[NH+]2CCN(CC[NH+](CC)CC)CC2)c(O)c1 ZINC001237044895 1305777752 /nfs/dbraw/zinc/77/77/52/1305777752.db2.gz OGJKKKVPODOREV-UHFFFAOYSA-N 2 0 335.492 2.250 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841061528 1315465452 /nfs/dbraw/zinc/46/54/52/1315465452.db2.gz JQIUTPZJQCIPHO-SKDRFNHKSA-N 2 0 329.238 2.393 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)CC1 ZINC000843045795 1315827854 /nfs/dbraw/zinc/82/78/54/1315827854.db2.gz KOMVBPSTWIVNRF-NRFANRHFSA-N 3 0 342.531 2.402 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C[NH2+]C)C3)cc2)CC1 ZINC001205009380 1322263847 /nfs/dbraw/zinc/26/38/47/1322263847.db2.gz PUONQCPRMCABNF-IBGZPJMESA-N 3 0 330.520 2.260 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205626252 1323220613 /nfs/dbraw/zinc/22/06/13/1323220613.db2.gz FBBNGPMPEODWAN-WMZOPIPTSA-N 2 0 331.504 2.455 20 10 EECDRP Oc1cc2c(cc1CN1CC[NH2+]C[C@@H]1c1ccccc1)C[NH2+]CCO2 ZINC001210228149 1325208848 /nfs/dbraw/zinc/20/88/48/1325208848.db2.gz SOWVHPHVEFRLDA-GOSISDBHSA-N 2 0 339.439 2.021 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](C[NH3+])C2CCCCCC2)cc1 ZINC000911667739 787612128 /nfs/dbraw/zinc/61/21/28/787612128.db2.gz ROWDQUCWXHEHBL-RBUKOAKNSA-N 2 0 346.519 2.414 20 10 EECDRP COc1ccc(N2CCN(CCC[NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000237273811 464295127 /nfs/dbraw/zinc/29/51/27/464295127.db2.gz QXBYTLTXPGWWCN-MRXNPFEDSA-N 2 0 335.517 2.302 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000775664352 577442123 /nfs/dbraw/zinc/44/21/23/577442123.db2.gz LTDNSIMEEPULRI-NRFANRHFSA-N 2 0 342.531 2.499 20 10 EECDRP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)cc1C ZINC000768463459 577556334 /nfs/dbraw/zinc/55/63/34/577556334.db2.gz UDOUAHQHKQWKIC-TXPKVOOTSA-N 2 0 334.460 2.393 20 10 EECDRP CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Br)ccc1O ZINC000702587170 1196020777 /nfs/dbraw/zinc/02/07/77/1196020777.db2.gz LUHCARNIEQKYEY-UKRRQHHQSA-N 2 0 343.265 2.262 20 10 EECDRP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1O ZINC001275270435 1205295207 /nfs/dbraw/zinc/29/52/07/1205295207.db2.gz IYBJUCSPJSGIJL-IRXDYDNUSA-N 2 0 333.476 2.001 20 10 EECDRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1 ZINC001275953513 1205600537 /nfs/dbraw/zinc/60/05/37/1205600537.db2.gz YHWFFFWARGOXEG-UHFFFAOYSA-N 2 0 347.503 2.337 20 10 EECDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc2ccccc2c1O ZINC001276373988 1229455065 /nfs/dbraw/zinc/45/50/65/1229455065.db2.gz NLVVNKXJLJKBNS-HDICACEKSA-N 2 0 325.456 2.366 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1C ZINC001075108716 1257384244 /nfs/dbraw/zinc/38/42/44/1257384244.db2.gz FGICHGOXNKOGFK-SZMVWBNQSA-N 2 0 345.487 2.034 20 10 EECDRP [NH3+]CC1(F)CC[NH+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC1 ZINC001222542865 1299669779 /nfs/dbraw/zinc/66/97/79/1299669779.db2.gz LUPHLYNEWNNIOO-UHFFFAOYSA-N 2 0 341.858 2.439 20 10 EECDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001276875470 1300036864 /nfs/dbraw/zinc/03/68/64/1300036864.db2.gz AQCWPUSXMAAIHF-NRFANRHFSA-N 3 0 342.531 2.356 20 10 EECDRP CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236939402 1305739268 /nfs/dbraw/zinc/73/92/68/1305739268.db2.gz QMMBTUHTBJXMTQ-MRXNPFEDSA-N 2 0 333.451 2.379 20 10 EECDRP CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2O)CCC12C[NH2+]C2 ZINC001237429176 1305928728 /nfs/dbraw/zinc/92/87/28/1305928728.db2.gz DPXZWCPARXTPMQ-KRWDZBQOSA-N 2 0 346.471 2.490 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C)N(C)C[C@H]3C)cc2)CC1 ZINC001140301827 1314860262 /nfs/dbraw/zinc/86/02/62/1314860262.db2.gz AQRIFDUGJXIIBT-ZWKOTPCHSA-N 2 0 330.520 2.353 20 10 EECDRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000839564760 1315215420 /nfs/dbraw/zinc/21/54/20/1315215420.db2.gz YBYSHOSSPNNCQZ-OAHLLOKOSA-N 2 0 332.492 2.004 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124796 1315848629 /nfs/dbraw/zinc/84/86/29/1315848629.db2.gz GUKUPZZCFQMJPS-UXHICEINSA-N 3 0 342.531 2.260 20 10 EECDRP Oc1cc2c(cc1O)C[N@@H+](C1CCC([NH+]3CCOCC3)CC1)CCC2 ZINC001256695746 1318837672 /nfs/dbraw/zinc/83/76/72/1318837672.db2.gz LLBRCZPLUDAORL-UHFFFAOYSA-N 2 0 346.471 2.489 20 10 EECDRP [NH3+][C@H]1Cc2ccccc2N(c2ncnc3sc4c(c32)CC[NH2+]C4)C1 ZINC001162845814 1320972743 /nfs/dbraw/zinc/97/27/43/1320972743.db2.gz WDWSRFXLLFLKKV-LBPRGKRZSA-N 2 0 337.452 2.359 20 10 EECDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205240022 1322327280 /nfs/dbraw/zinc/32/72/80/1322327280.db2.gz GQZQRRCMSDVAPT-OAHLLOKOSA-N 2 0 343.265 2.139 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205617256 1323217955 /nfs/dbraw/zinc/21/79/55/1323217955.db2.gz IQHJZISDLNITDI-GDBMZVCRSA-N 3 0 335.492 2.269 20 10 EECDRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001332069316 1335718850 /nfs/dbraw/zinc/71/88/50/1335718850.db2.gz OKKMDJQAHYKBLR-SFHVURJKSA-N 2 0 346.519 2.079 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000825331967 788575434 /nfs/dbraw/zinc/57/54/34/788575434.db2.gz OKQXLVABWQTQFW-MOPGFXCFSA-N 2 0 329.488 2.295 20 10 EECDRP Oc1cc(O)c(C[N@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001144504658 789894512 /nfs/dbraw/zinc/89/45/12/789894512.db2.gz YUBYEMOWQXRXKB-BETUJISGSA-N 2 0 346.452 2.429 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)c2ccn3c[nH+]cc3c2)cc1C ZINC001130874942 812138453 /nfs/dbraw/zinc/13/84/53/812138453.db2.gz VMYXNSCPGLBNRD-UHFFFAOYSA-N 2 0 338.411 2.171 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000194260445 463823095 /nfs/dbraw/zinc/82/30/95/463823095.db2.gz LDHYQGQEFOPVHR-MAUKXSAKSA-N 2 0 335.492 2.323 20 10 EECDRP CCOc1ccc(O)c(CN(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000289699505 464090719 /nfs/dbraw/zinc/09/07/19/464090719.db2.gz GAEXGIWWIAQQQX-UHFFFAOYSA-N 2 0 337.508 2.496 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](C4CCCC4)CC3)cc2)CC1 ZINC000775647799 577441814 /nfs/dbraw/zinc/44/18/14/577441814.db2.gz AEOUXVYMCWJEKF-UHFFFAOYSA-N 2 0 342.531 2.499 20 10 EECDRP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)cc1C ZINC000768463455 577556338 /nfs/dbraw/zinc/55/63/38/577556338.db2.gz UDOUAHQHKQWKIC-FRQCXROJSA-N 2 0 334.460 2.393 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001020928304 675587437 /nfs/dbraw/zinc/58/74/37/675587437.db2.gz BDPNFMJDSOIUEL-BZSNNMDCSA-N 2 0 345.487 2.082 20 10 EECDRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883290681 1202041120 /nfs/dbraw/zinc/04/11/20/1202041120.db2.gz CDWVBNXGZGNVOQ-FQEVSTJZSA-N 2 0 341.503 2.449 20 10 EECDRP N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001218582448 1297720627 /nfs/dbraw/zinc/72/06/27/1297720627.db2.gz XBOXCOJEZDTFSU-FKEUZNKFSA-N 2 0 341.419 2.062 20 10 EECDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116654446 1305908967 /nfs/dbraw/zinc/90/89/67/1305908967.db2.gz BLQLCUOYAMDOLU-SFHVURJKSA-N 2 0 330.520 2.402 20 10 EECDRP COc1cc(CN2CC[C@@H]([N@H+](C)C3CC3)C2)cc(C[NH+](C)C)c1O ZINC001139259085 1314722784 /nfs/dbraw/zinc/72/27/84/1314722784.db2.gz HNUAPDYCUBWKNV-QGZVFWFLSA-N 2 0 333.476 2.131 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CC(=O)OC)cc2)CC1 ZINC001140306246 1314863082 /nfs/dbraw/zinc/86/30/82/1314863082.db2.gz QJHOZFHYXWMIOF-IBGZPJMESA-N 2 0 345.487 2.356 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[NH+]4CCC3CC4)cc2)CC1 ZINC001140306757 1314863185 /nfs/dbraw/zinc/86/31/85/1314863185.db2.gz WRDKHLGJQFGQAH-UHFFFAOYSA-N 2 0 328.504 2.109 20 10 EECDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000843341044 1315893988 /nfs/dbraw/zinc/89/39/88/1315893988.db2.gz BSQKQXDOMYAKFZ-ZJPYXAASSA-N 2 0 329.488 2.499 20 10 EECDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252639 1317035565 /nfs/dbraw/zinc/03/55/65/1317035565.db2.gz OHQUBKJHEOZCCL-UHFFFAOYSA-N 2 0 345.487 2.256 20 10 EECDRP Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c(O)cc1Br ZINC001250133371 1317217525 /nfs/dbraw/zinc/21/75/25/1317217525.db2.gz LIJXETOMOLHHFS-BETUJISGSA-N 2 0 325.250 2.457 20 10 EECDRP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC001158413074 1319227003 /nfs/dbraw/zinc/22/70/03/1319227003.db2.gz URVJGBYFRGCLDX-ZWKOTPCHSA-N 2 0 347.503 2.330 20 10 EECDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204273237 1322098128 /nfs/dbraw/zinc/09/81/28/1322098128.db2.gz LFCIJDGNBYDBRX-YLJYHZDGSA-N 2 0 346.471 2.278 20 10 EECDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC001262374568 1322289679 /nfs/dbraw/zinc/28/96/79/1322289679.db2.gz JARVBVGGTKQKTK-UHFFFAOYSA-N 2 0 326.444 2.132 20 10 EECDRP C[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308249548 1331578137 /nfs/dbraw/zinc/57/81/37/1331578137.db2.gz GKVNNTSPSWLUBB-AWEZNQCLSA-N 2 0 345.409 2.495 20 10 EECDRP CN(C)c1cc(F)c(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1F ZINC001328756210 1334515332 /nfs/dbraw/zinc/51/53/32/1334515332.db2.gz FNFHUYMCUDDMLQ-UHFFFAOYSA-N 2 0 340.462 2.146 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428439 1334648178 /nfs/dbraw/zinc/64/81/78/1334648178.db2.gz RDYAAYKDENZYCT-LNLFQRSKSA-N 2 0 346.494 2.137 20 10 EECDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)C1 ZINC000817889514 785023685 /nfs/dbraw/zinc/02/36/85/785023685.db2.gz OJOQKZGGWOABTN-BHIYHBOVSA-N 2 0 344.503 2.138 20 10 EECDRP C[C@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1C[NH2+]C1 ZINC000817903947 785058393 /nfs/dbraw/zinc/05/83/93/785058393.db2.gz XPBIVYIHOCMXFL-LBPRGKRZSA-N 2 0 325.403 2.454 20 10 EECDRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935367 785079684 /nfs/dbraw/zinc/07/96/84/785079684.db2.gz NNZZDTRMYWQHOZ-CJNGLKHVSA-N 2 0 325.403 2.018 20 10 EECDRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000785987182 806657862 /nfs/dbraw/zinc/65/78/62/806657862.db2.gz FHTZEQHQXGTYGE-UWVAXJGDSA-N 2 0 331.504 2.420 20 10 EECDRP CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371471059 465817977 /nfs/dbraw/zinc/81/79/77/465817977.db2.gz QMLJLFKFBOBBKZ-XYJFISCASA-N 2 0 334.460 2.474 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001132283865 1199518101 /nfs/dbraw/zinc/51/81/01/1199518101.db2.gz MJEWWNABKADNRD-UHFFFAOYSA-N 2 0 333.476 2.084 20 10 EECDRP Cc1ccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c(O)c1 ZINC001276168614 1205810796 /nfs/dbraw/zinc/81/07/96/1205810796.db2.gz GZLSHJVALIEGIE-UHFFFAOYSA-N 2 0 340.471 2.495 20 10 EECDRP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000159517696 1208470492 /nfs/dbraw/zinc/47/04/92/1208470492.db2.gz MNGJMRKDEBQQTE-UHFFFAOYSA-N 2 0 329.400 2.127 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001000926902 1241224343 /nfs/dbraw/zinc/22/43/43/1241224343.db2.gz KQZZYMGSJGZECK-QZTJIDSGSA-N 2 0 345.487 2.036 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@H]2C)cc1C ZINC001074565191 1257073013 /nfs/dbraw/zinc/07/30/13/1257073013.db2.gz YFEPNXQSIWWQTJ-SZMVWBNQSA-N 2 0 345.487 2.177 20 10 EECDRP C[NH+](C)CCN1CCC12C[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001276813009 1298386721 /nfs/dbraw/zinc/38/67/21/1298386721.db2.gz MLDVUEFAUZIGRX-UHFFFAOYSA-N 2 0 325.456 2.367 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001235114840 1305118934 /nfs/dbraw/zinc/11/89/34/1305118934.db2.gz GOMGOEWMPHJYNJ-HXUWFJFHSA-N 2 0 328.504 2.156 20 10 EECDRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000799724815 1305392645 /nfs/dbraw/zinc/39/26/45/1305392645.db2.gz AKXWPAQQTBUNDZ-LBPRGKRZSA-N 2 0 327.419 2.347 20 10 EECDRP Cc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC001236082228 1305498418 /nfs/dbraw/zinc/49/84/18/1305498418.db2.gz BNULPEPNZGDQMY-UHFFFAOYSA-N 2 0 326.488 2.431 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC001236095250 1305501340 /nfs/dbraw/zinc/50/13/40/1305501340.db2.gz OUMDJSHMNUOPPA-KDURUIRLSA-N 2 0 328.504 2.155 20 10 EECDRP COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236935297 1305737879 /nfs/dbraw/zinc/73/78/79/1305737879.db2.gz GOIFRHCVVXMIPQ-INIZCTEOSA-N 2 0 349.450 2.105 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cccc(C[NH+](C)C)c2)cc1 ZINC000832282492 1314669702 /nfs/dbraw/zinc/66/97/02/1314669702.db2.gz ZUNUZBOKMLSUJN-LJQANCHMSA-N 2 0 340.471 2.244 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253131 1314721583 /nfs/dbraw/zinc/72/15/83/1314721583.db2.gz MYZCMLMDSBVFHO-LIRRHRJNSA-N 2 0 336.476 2.445 20 10 EECDRP CCC[NH+]1C[C@@H]2CN(Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C[C@H]2C1 ZINC001139261075 1314722719 /nfs/dbraw/zinc/72/27/19/1314722719.db2.gz UEUUIWNONHEMJX-QZTJIDSGSA-N 2 0 347.503 2.236 20 10 EECDRP COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412054 1314741675 /nfs/dbraw/zinc/74/16/75/1314741675.db2.gz BXTRKIGKYHLTMM-AEFFLSMTSA-N 2 0 345.487 2.069 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C)N(C)[C@@H](C)C3)cc2)CC1 ZINC001140304076 1314862204 /nfs/dbraw/zinc/86/22/04/1314862204.db2.gz HHGOVEKLHNADPY-HDICACEKSA-N 2 0 330.520 2.353 20 10 EECDRP COc1ccc(N2CCN([C@@H]3CCC[N@H+](C)CC3)CC2)c(OC)c1 ZINC001254531245 1318109986 /nfs/dbraw/zinc/10/99/86/1318109986.db2.gz JFQLWTYKRZJVAV-MRXNPFEDSA-N 2 0 333.476 2.310 20 10 EECDRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205558916 1323194560 /nfs/dbraw/zinc/19/45/60/1323194560.db2.gz LNZHXVNKJSULEI-IBGZPJMESA-N 2 0 335.467 2.301 20 10 EECDRP CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001323980749 1333582996 /nfs/dbraw/zinc/58/29/96/1333582996.db2.gz YLPCUVOSCPOXJK-HXUWFJFHSA-N 2 0 331.504 2.279 20 10 EECDRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001330983226 1334940826 /nfs/dbraw/zinc/94/08/26/1334940826.db2.gz OPFJZNWVPSMVED-SFHVURJKSA-N 2 0 346.519 2.064 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001755693588 1407738926 /nfs/dbraw/zinc/73/89/26/1407738926.db2.gz QOEALVGHJZIWDB-SJLPKXTDSA-N 2 0 347.503 2.423 20 10 EECDRP COc1cccc(O)c1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741319 783349411 /nfs/dbraw/zinc/34/94/11/783349411.db2.gz MTSQSHUOGCBRRD-MRXNPFEDSA-N 2 0 333.476 2.001 20 10 EECDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939739 785086678 /nfs/dbraw/zinc/08/66/78/785086678.db2.gz BJNBXUWCHHGAHO-CWFSZBLJSA-N 2 0 326.488 2.301 20 10 EECDRP COc1cccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000846137271 790072582 /nfs/dbraw/zinc/07/25/82/790072582.db2.gz DFIDUSCLLYVZGB-NVXWUHKLSA-N 2 0 335.492 2.323 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001129423550 810836139 /nfs/dbraw/zinc/83/61/39/810836139.db2.gz UUSPAOPFMDKBFD-SFHVURJKSA-N 2 0 347.503 2.472 20 10 EECDRP CCOCc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)ccc1OC ZINC000185863639 463893117 /nfs/dbraw/zinc/89/31/17/463893117.db2.gz DKMFVVSIQOXKBR-KRWDZBQOSA-N 2 0 349.519 2.347 20 10 EECDRP COc1cc(Cl)cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000290238126 464111672 /nfs/dbraw/zinc/11/16/72/464111672.db2.gz UIWSUCQZQCYWEB-UHFFFAOYSA-N 2 0 343.899 2.370 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000362688185 465943216 /nfs/dbraw/zinc/94/32/16/465943216.db2.gz SWXHOCPMGOVKFE-IEBWSBKVSA-N 2 0 331.504 2.467 20 10 EECDRP COc1ccc(O)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000374992374 466762709 /nfs/dbraw/zinc/76/27/09/466762709.db2.gz XLRYURRHTISACT-UHFFFAOYSA-N 2 0 334.460 2.335 20 10 EECDRP CCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000370704795 466972954 /nfs/dbraw/zinc/97/29/54/466972954.db2.gz BKXRUWWZYLRTMK-SJLPKXTDSA-N 2 0 347.503 2.249 20 10 EECDRP CCOc1ccc(O)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377620489 467098544 /nfs/dbraw/zinc/09/85/44/467098544.db2.gz DQORRBPGZZRIGJ-SFHVURJKSA-N 2 0 347.503 2.391 20 10 EECDRP CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000377628894 467100551 /nfs/dbraw/zinc/10/05/51/467100551.db2.gz OUQUBMXJSVSZHZ-GOSISDBHSA-N 2 0 348.510 2.492 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000775726228 577444005 /nfs/dbraw/zinc/44/40/05/577444005.db2.gz PZSISKUZSGVSKC-RTBURBONSA-N 2 0 329.488 2.297 20 10 EECDRP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)c1 ZINC000770353279 577594460 /nfs/dbraw/zinc/59/44/60/577594460.db2.gz ZDEJSIPKJCYZDC-VDZJLULYSA-N 2 0 334.460 2.474 20 10 EECDRP COc1ccc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000757917318 577866449 /nfs/dbraw/zinc/86/64/49/577866449.db2.gz CONILRBVNNLMRE-UHFFFAOYSA-N 2 0 340.471 2.474 20 10 EECDRP CC(C)[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)[NH+](C)C ZINC000891253945 676250179 /nfs/dbraw/zinc/25/01/79/676250179.db2.gz VHGLRUAPNBQPNE-MSOLQXFVSA-N 2 0 334.508 2.058 20 10 EECDRP COc1cc(C)cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1O ZINC000894210501 681269733 /nfs/dbraw/zinc/26/97/33/681269733.db2.gz CEAPGAUJZHUFAS-UHFFFAOYSA-N 2 0 347.503 2.357 20 10 EECDRP C[C@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000876945634 1199826335 /nfs/dbraw/zinc/82/63/35/1199826335.db2.gz HCTNQOMPKSGHTM-QGZVFWFLSA-N 2 0 331.504 2.469 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC([C@H]2CCCC[NH2+]2)CC1 ZINC001235226223 1305156379 /nfs/dbraw/zinc/15/63/79/1305156379.db2.gz AVMSSGFUYXIOBZ-OAQYLSRUSA-N 3 0 342.531 2.450 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235433079 1305227003 /nfs/dbraw/zinc/22/70/03/1305227003.db2.gz ZKPNIKJJMVXVTE-VQTJNVASSA-N 3 0 342.531 2.308 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001140300888 1314859159 /nfs/dbraw/zinc/85/91/59/1314859159.db2.gz VVKNCVZHWAFPLK-SFHVURJKSA-N 2 0 345.487 2.214 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000841846246 1315621964 /nfs/dbraw/zinc/62/19/64/1315621964.db2.gz MVCVICWTKRGBBI-SJORKVTESA-N 2 0 346.862 2.222 20 10 EECDRP CCCCOC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001252535157 1317630484 /nfs/dbraw/zinc/63/04/84/1317630484.db2.gz OEFMNIAWGNPOIR-GOSISDBHSA-N 2 0 336.476 2.124 20 10 EECDRP C[N@@H+]1CC[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001255420151 1318399485 /nfs/dbraw/zinc/39/94/85/1318399485.db2.gz KTPOVAPOFRMOQI-MJXNMMHHSA-N 2 0 327.428 2.133 20 10 EECDRP CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001203609737 1321922661 /nfs/dbraw/zinc/92/26/61/1321922661.db2.gz IYBJUCSPJSGIJL-DLBZAZTESA-N 2 0 333.476 2.001 20 10 EECDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205230743 1322323365 /nfs/dbraw/zinc/32/33/65/1322323365.db2.gz UQOSDAJCOPVUAD-FQEVSTJZSA-N 2 0 329.488 2.061 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001206310740 1323452885 /nfs/dbraw/zinc/45/28/85/1323452885.db2.gz BIDAZDGETZOQFN-IBGZPJMESA-N 3 0 335.492 2.413 20 10 EECDRP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210811135 1325444956 /nfs/dbraw/zinc/44/49/56/1325444956.db2.gz JTGVUTPVFAQITO-GOSISDBHSA-N 2 0 347.503 2.426 20 10 EECDRP Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(C2CC2)n1 ZINC001343246765 1337331374 /nfs/dbraw/zinc/33/13/74/1337331374.db2.gz OVHRKRLPOOFILA-UHFFFAOYSA-N 2 0 339.487 2.339 20 10 EECDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001755663768 1407713469 /nfs/dbraw/zinc/71/34/69/1407713469.db2.gz OCYVASZUOFVVMR-FUHWJXTLSA-N 2 0 347.503 2.424 20 10 EECDRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000817974029 785125028 /nfs/dbraw/zinc/12/50/28/785125028.db2.gz XKSDCTBOOIPGIE-CJNGLKHVSA-N 2 0 344.425 2.239 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000362688187 465942114 /nfs/dbraw/zinc/94/21/14/465942114.db2.gz SWXHOCPMGOVKFE-PKOBYXMFSA-N 2 0 331.504 2.467 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000775726227 577443911 /nfs/dbraw/zinc/44/39/11/577443911.db2.gz PZSISKUZSGVSKC-RBUKOAKNSA-N 2 0 329.488 2.297 20 10 EECDRP CCOc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(O)c1 ZINC000768304516 577553455 /nfs/dbraw/zinc/55/34/55/577553455.db2.gz ZRYYSKYDRATWLC-UHFFFAOYSA-N 2 0 334.460 2.335 20 10 EECDRP CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1 ZINC000769525579 577579734 /nfs/dbraw/zinc/57/97/34/577579734.db2.gz IPWUDOVPQRTNOM-VQIMIIECSA-N 2 0 347.503 2.249 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C ZINC001026733922 684925399 /nfs/dbraw/zinc/92/53/99/684925399.db2.gz JUTRKJHUSWNCGD-ZWKOTPCHSA-N 2 0 345.487 2.036 20 10 EECDRP CC(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CC[NH+](C)CC1 ZINC000113319830 1224287343 /nfs/dbraw/zinc/28/73/43/1224287343.db2.gz FMYZIWJZABTVLK-MRXNPFEDSA-N 2 0 325.884 2.407 20 10 EECDRP C[NH+]1CCN(C2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)CC1 ZINC000872731866 1198357968 /nfs/dbraw/zinc/35/79/68/1198357968.db2.gz NXTIILXXSDPHHP-UHFFFAOYSA-N 2 0 343.515 2.483 20 10 EECDRP Cc1cccc(O)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000876936761 1199823569 /nfs/dbraw/zinc/82/35/69/1199823569.db2.gz MYWDVVCWNJGJRC-UHFFFAOYSA-N 2 0 326.444 2.137 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CC3)C(C)(C)CO)cc2)CC1 ZINC000811518605 1200105117 /nfs/dbraw/zinc/10/51/17/1200105117.db2.gz MJMYAUYVSZINJV-LJQANCHMSA-N 2 0 331.504 2.325 20 10 EECDRP Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(C(F)F)n1 ZINC000883283725 1202040162 /nfs/dbraw/zinc/04/01/62/1202040162.db2.gz QLPJSGGJLJPKQI-UHFFFAOYSA-N 2 0 349.429 2.399 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnn3CC3CC3)cc2)CC1 ZINC000883283799 1202040198 /nfs/dbraw/zinc/04/01/98/1202040198.db2.gz UBGZUQQYJAEJFF-UHFFFAOYSA-N 2 0 339.487 2.335 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC4(COC4)CC3)cc2)CC1 ZINC000883389544 1202057223 /nfs/dbraw/zinc/05/72/23/1202057223.db2.gz SYPGWHDXKXWJAF-UHFFFAOYSA-N 2 0 329.488 2.487 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)Cn3cccn3)cc2F)CC1 ZINC000138377130 1202527428 /nfs/dbraw/zinc/52/74/28/1202527428.db2.gz WBLMXJPAPZVQMI-INIZCTEOSA-N 2 0 345.466 2.342 20 10 EECDRP c1cc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cc[nH+]1 ZINC000112119299 1292704315 /nfs/dbraw/zinc/70/43/15/1292704315.db2.gz OKFLZABAUGVIEO-UHFFFAOYSA-N 2 0 338.455 2.240 20 10 EECDRP Cc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001231593495 1303859405 /nfs/dbraw/zinc/85/94/05/1303859405.db2.gz QRMGDEPCGKECPM-IEBWSBKVSA-N 2 0 340.471 2.388 20 10 EECDRP OC1CCN(c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC001236319486 1305560310 /nfs/dbraw/zinc/56/03/10/1305560310.db2.gz ASTNSHCLGZGKPI-HDICACEKSA-N 2 0 329.488 2.079 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+]C1CCC2(CC[NH2+]C2)CC1 ZINC001246172182 1310252264 /nfs/dbraw/zinc/25/22/64/1310252264.db2.gz FYLVTOUITXEIKN-UHFFFAOYSA-N 3 0 328.504 2.108 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC001140303816 1314861559 /nfs/dbraw/zinc/86/15/59/1314861559.db2.gz BGAAOBPEJFHVQG-UHFFFAOYSA-N 2 0 342.531 2.356 20 10 EECDRP CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001325892184 1333986039 /nfs/dbraw/zinc/98/60/39/1333986039.db2.gz UPRQWNCZFSZDFG-IBGZPJMESA-N 2 0 345.487 2.356 20 10 EECDRP Cn1ccnc1N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001327797041 1334347601 /nfs/dbraw/zinc/34/76/01/1334347601.db2.gz KOIPMYBUBKAKBT-UHFFFAOYSA-N 2 0 325.460 2.343 20 10 EECDRP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(OC)c1 ZINC001141032393 1372744567 /nfs/dbraw/zinc/74/45/67/1372744567.db2.gz AHZIPXWUUQKEIA-UHFFFAOYSA-N 2 0 343.427 2.435 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000848718836 1373170615 /nfs/dbraw/zinc/17/06/15/1373170615.db2.gz RBEOOYNPSZIWMB-IAGOWNOFSA-N 3 0 334.483 2.327 20 10 EECDRP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1O ZINC000817973250 785124241 /nfs/dbraw/zinc/12/42/41/785124241.db2.gz RTDKTKGVOXMWID-DZGCQCFKSA-N 2 0 331.382 2.269 20 10 EECDRP C[C@H]1CC2(C[N@@H+]1Cc1ccc(N3CC[NH+](C)CC3)cc1)CC[NH2+]CC2 ZINC000818431664 785254517 /nfs/dbraw/zinc/25/45/17/785254517.db2.gz QVBDHBBFVYQPGR-SFHVURJKSA-N 3 0 342.531 2.402 20 10 EECDRP CCOc1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1O ZINC000134095015 463001994 /nfs/dbraw/zinc/00/19/94/463001994.db2.gz ZCRHCEYQRMNCEI-UHFFFAOYSA-N 2 0 334.460 2.335 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368329915 466597971 /nfs/dbraw/zinc/59/79/71/466597971.db2.gz UTTPDSNIMBMKBI-GJZGRUSLSA-N 2 0 333.476 2.220 20 10 EECDRP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834871 467149454 /nfs/dbraw/zinc/14/94/54/467149454.db2.gz OVOUKNVQWIOEQG-UYAOXDASSA-N 2 0 329.488 2.439 20 10 EECDRP CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775711910 577443394 /nfs/dbraw/zinc/44/33/94/577443394.db2.gz KBVLHNOTXOUWRS-ZWKOTPCHSA-N 2 0 330.520 2.353 20 10 EECDRP CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000776495347 577460886 /nfs/dbraw/zinc/46/08/86/577460886.db2.gz YBETUPZRDBKWOR-LJQANCHMSA-N 2 0 331.504 2.325 20 10 EECDRP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1C ZINC000756551659 577846526 /nfs/dbraw/zinc/84/65/26/577846526.db2.gz WGTFNFMBFITLCR-HZPDHXFCSA-N 2 0 333.476 2.247 20 10 EECDRP CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Br)ccc1O ZINC000702587168 1196021157 /nfs/dbraw/zinc/02/11/57/1196021157.db2.gz LUHCARNIEQKYEY-HIFRSBDPSA-N 2 0 343.265 2.262 20 10 EECDRP Cc1cccc(O)c1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000876990888 1199838444 /nfs/dbraw/zinc/83/84/44/1199838444.db2.gz PNJPPQUVMRWDPB-UHFFFAOYSA-N 2 0 326.444 2.137 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cc2)CC1 ZINC000883290246 1202041242 /nfs/dbraw/zinc/04/12/42/1202041242.db2.gz OZGVTXHIZXZKBI-UHFFFAOYSA-N 2 0 345.487 2.214 20 10 EECDRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289290 1202041374 /nfs/dbraw/zinc/04/13/74/1202041374.db2.gz KBWCWNBVIHIBRX-KRWDZBQOSA-N 2 0 346.519 2.175 20 10 EECDRP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001275952600 1205600268 /nfs/dbraw/zinc/60/02/68/1205600268.db2.gz IRVHKXVGISCVHU-HXUWFJFHSA-N 2 0 347.503 2.337 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@H]3CCC[NH2+][C@H]3C)cc2F)CC1 ZINC000925560063 1206127706 /nfs/dbraw/zinc/12/77/06/1206127706.db2.gz WLBHKWPUQAZISX-YJBOKZPZSA-N 2 0 334.483 2.198 20 10 EECDRP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC000961641437 1217256266 /nfs/dbraw/zinc/25/62/66/1217256266.db2.gz NYOCGJBRHMUUBP-ABHNRTSZSA-N 2 0 345.487 2.082 20 10 EECDRP COc1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850119412 1277045376 /nfs/dbraw/zinc/04/53/76/1277045376.db2.gz OWMBIYSJQXGWHN-OAHLLOKOSA-N 2 0 349.519 2.424 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCN(C(C)(C)C)C3)cc2)CC1 ZINC000850350357 1277193949 /nfs/dbraw/zinc/19/39/49/1277193949.db2.gz AUHFDFPKSVCUFB-GOSISDBHSA-N 2 0 330.520 2.401 20 10 EECDRP Cc1cc(F)cc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c1O ZINC001277519591 1303799779 /nfs/dbraw/zinc/79/97/79/1303799779.db2.gz DGGUFAFJCLIXMT-UHFFFAOYSA-N 2 0 335.467 2.299 20 10 EECDRP CCOC(=O)[C@]12C[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]1C[NH2+]CC2 ZINC001236039905 1305483045 /nfs/dbraw/zinc/48/30/45/1305483045.db2.gz AOUHYNJBWOVENS-CXAGYDPISA-N 2 0 338.835 2.020 20 10 EECDRP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236089740 1305499992 /nfs/dbraw/zinc/49/99/92/1305499992.db2.gz FDPFETFMXHRKDP-YJBOKZPZSA-N 2 0 333.476 2.116 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[N@@H+]4CCCC[C@@H]4C3)c(F)c2)CC1 ZINC001236940890 1305738696 /nfs/dbraw/zinc/73/86/96/1305738696.db2.gz VTCQAIPUNBQFKI-LJQANCHMSA-N 2 0 346.494 2.248 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246526621 1310332486 /nfs/dbraw/zinc/33/24/86/1310332486.db2.gz RDXZFCGEIGCZNZ-KDOFPFPSSA-N 2 0 329.488 2.316 20 10 EECDRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc(C[NH+](C)C)c1O ZINC001139258295 1314722758 /nfs/dbraw/zinc/72/27/58/1314722758.db2.gz PDKBTJZYQUWYOK-UHFFFAOYSA-N 3 0 347.503 2.380 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(CO)CC3)cc2)CC1 ZINC001139408654 1314740107 /nfs/dbraw/zinc/74/01/07/1314740107.db2.gz OJQDPRQILABFMW-FQEVSTJZSA-N 2 0 331.504 2.423 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CO)cc2)CC1 ZINC001140302661 1314861139 /nfs/dbraw/zinc/86/11/39/1314861139.db2.gz WZMDFGDSXHTAEN-XLIONFOSSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C3CC3)cc2)CC1 ZINC001140309579 1314864572 /nfs/dbraw/zinc/86/45/72/1314864572.db2.gz MITFGIFGTUOXQG-FQEVSTJZSA-N 2 0 329.488 2.439 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]4CC(=O)C[C@@H]4C3)cc2)CC1 ZINC001254932767 1318228372 /nfs/dbraw/zinc/22/83/72/1318228372.db2.gz ZIIKJIMRDXBWEX-PIIMJCKOSA-N 2 0 327.472 2.286 20 10 EECDRP [NH3+]CC[C@@H]1CN(c2nc(Cl)nc3c2C[NH2+]CC3)c2ccccc21 ZINC001157739313 1318828401 /nfs/dbraw/zinc/82/84/01/1318828401.db2.gz ISOJWLFYCXAUAH-LLVKDONJSA-N 2 0 329.835 2.360 20 10 EECDRP CC(C)[N@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCC[NH2+]CC1 ZINC001206598722 1323542435 /nfs/dbraw/zinc/54/24/35/1323542435.db2.gz LPDCZDPLCOFZSO-QGZVFWFLSA-N 3 0 333.476 2.227 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H](C[NH3+])C3)cc2)CC1 ZINC001206622527 1323548854 /nfs/dbraw/zinc/54/88/54/1323548854.db2.gz DYKKZLKLMMKJSS-LJQANCHMSA-N 3 0 330.520 2.389 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428444 1334648196 /nfs/dbraw/zinc/64/81/96/1334648196.db2.gz RDYAAYKDENZYCT-YQVWRLOYSA-N 2 0 346.494 2.137 20 10 EECDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001332639800 1335869773 /nfs/dbraw/zinc/86/97/73/1335869773.db2.gz QOZQKGHPEKFDFE-UHFFFAOYSA-N 2 0 330.520 2.404 20 10 EECDRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001336117372 1336483224 /nfs/dbraw/zinc/48/32/24/1336483224.db2.gz LJMPCAYRYAQDCF-UHFFFAOYSA-N 2 0 346.519 2.185 20 10 EECDRP CC[NH+]1C[C@@H]2C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@H]2C1 ZINC001138341132 1372385015 /nfs/dbraw/zinc/38/50/15/1372385015.db2.gz IFDZQNMUWZPGMZ-QZTJIDSGSA-N 2 0 341.499 2.475 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000848718840 1373170875 /nfs/dbraw/zinc/17/08/75/1373170875.db2.gz RBEOOYNPSZIWMB-SJORKVTESA-N 3 0 334.483 2.327 20 10 EECDRP COc1cc(Br)cc(C[NH+]2CCC(F)(C[NH3+])CC2)c1O ZINC001222531958 769738013 /nfs/dbraw/zinc/73/80/13/769738013.db2.gz GYNZQTOMJPPRIE-UHFFFAOYSA-N 2 0 347.228 2.426 20 10 EECDRP C[C@H](CO)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CCC1 ZINC000809665058 783293166 /nfs/dbraw/zinc/29/31/66/783293166.db2.gz NPRUBSMESXHHLD-QGZVFWFLSA-N 2 0 331.504 2.421 20 10 EECDRP CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000809741344 783349569 /nfs/dbraw/zinc/34/95/69/783349569.db2.gz NFBAVKSUEHGUNQ-GOSISDBHSA-N 2 0 347.503 2.391 20 10 EECDRP CCC[C@]1(CO)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809790158 783395263 /nfs/dbraw/zinc/39/52/63/783395263.db2.gz AYIYYXZYMWDESL-FQEVSTJZSA-N 2 0 331.504 2.423 20 10 EECDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000817892792 785049096 /nfs/dbraw/zinc/04/90/96/785049096.db2.gz CLAWXIOCVBDGFN-PMACEKPBSA-N 2 0 346.519 2.067 20 10 EECDRP Cc1cc(C)c([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1 ZINC000817971630 785122885 /nfs/dbraw/zinc/12/28/85/785122885.db2.gz FWVDYUUQFXQYSJ-ZFWWWQNUSA-N 2 0 345.409 2.496 20 10 EECDRP CCOc1ccc(O)c(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c1 ZINC000825275311 788564756 /nfs/dbraw/zinc/56/47/56/788564756.db2.gz GRODZCILDBIILF-UHFFFAOYSA-N 2 0 335.492 2.297 20 10 EECDRP Oc1cc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(O)c1 ZINC001144509051 789909319 /nfs/dbraw/zinc/90/93/19/789909319.db2.gz JJFUDTFJMDCJLF-HZPDHXFCSA-N 2 0 340.423 2.367 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C ZINC001086047379 802011666 /nfs/dbraw/zinc/01/16/66/802011666.db2.gz OKLREMDWATWNSW-FGTMMUONSA-N 2 0 345.487 2.082 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000273484327 464718644 /nfs/dbraw/zinc/71/86/44/464718644.db2.gz MWRFFBAVZIEIBF-SOVGHPHASA-N 2 0 334.460 2.429 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1C ZINC001022714296 678308585 /nfs/dbraw/zinc/30/85/85/678308585.db2.gz SZTZXXZPHTXERP-OLMNPRSZSA-N 2 0 345.487 2.082 20 10 EECDRP COc1cc(C)cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)c1O ZINC000894366021 682647767 /nfs/dbraw/zinc/64/77/67/682647767.db2.gz JWXHQGGWCDTULB-UHFFFAOYSA-N 2 0 342.443 2.468 20 10 EECDRP C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894769369 683076476 /nfs/dbraw/zinc/07/64/76/683076476.db2.gz FNAPBUPWXHTTGX-INIZCTEOSA-N 2 0 339.430 2.271 20 10 EECDRP COC(=O)[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)C ZINC000894791182 683089759 /nfs/dbraw/zinc/08/97/59/683089759.db2.gz PVZUUPKNBMAZGZ-GOSISDBHSA-N 2 0 347.503 2.363 20 10 EECDRP Oc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275418608 1205351388 /nfs/dbraw/zinc/35/13/88/1205351388.db2.gz IADZCEWVICMEIV-IYBDPMFKSA-N 2 0 342.443 2.165 20 10 EECDRP Cc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)c(O)c1 ZINC001276169348 1205811518 /nfs/dbraw/zinc/81/15/18/1205811518.db2.gz QFCMZMSHJZTRLA-VQTJNVASSA-N 2 0 345.487 2.313 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC(=O)[C@@H]4C3)c(F)c2)CC1 ZINC001236949069 1305742176 /nfs/dbraw/zinc/74/21/76/1305742176.db2.gz ZLNSYTLCKLEOLY-MAUKXSAKSA-N 2 0 345.462 2.379 20 10 EECDRP COc1cc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139258934 1314722875 /nfs/dbraw/zinc/72/28/75/1314722875.db2.gz BJBLBEXEJFVBJR-QGZVFWFLSA-N 2 0 335.492 2.377 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@](O)(CF)C3)cc2)CC1 ZINC001139409290 1314741217 /nfs/dbraw/zinc/74/12/17/1314741217.db2.gz ZPFBYOOQAPMZNW-IBGZPJMESA-N 2 0 335.467 2.125 20 10 EECDRP COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139413181 1314741719 /nfs/dbraw/zinc/74/17/19/1314741719.db2.gz STIJWTAQHRMHAO-SFHVURJKSA-N 2 0 345.487 2.214 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843121244 1315848140 /nfs/dbraw/zinc/84/81/40/1315848140.db2.gz HCRFHUXXMFFFKW-QGZVFWFLSA-N 2 0 334.483 2.151 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001163851617 1321232219 /nfs/dbraw/zinc/23/22/19/1321232219.db2.gz PMPUFGZNEHXBMO-UHFFFAOYSA-N 2 0 347.503 2.474 20 10 EECDRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001263260079 1322449064 /nfs/dbraw/zinc/44/90/64/1322449064.db2.gz PYYUAVOKTWQNNI-ZWKOTPCHSA-N 2 0 334.508 2.235 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002741 1323367643 /nfs/dbraw/zinc/36/76/43/1323367643.db2.gz AFENOFIRACKVKX-HKUYNNGSSA-N 3 0 330.520 2.245 20 10 EECDRP CN1CCCc2cc(C[NH+]3CC4(C3)CCN(CC[NH+](C)C)C4)ccc21 ZINC001276580941 1324633632 /nfs/dbraw/zinc/63/36/32/1324633632.db2.gz NMFGHDKQKGOUNJ-UHFFFAOYSA-N 2 0 342.531 2.138 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])[NH+](C)C)cc1 ZINC001578424462 1403753792 /nfs/dbraw/zinc/75/37/92/1403753792.db2.gz HQYTWWPEDHIRLU-IPMKNSEASA-N 2 0 346.519 2.379 20 10 EECDRP CSc1nc(C2C[NH2+]C2)cc(N2C[C@@H](CC[NH3+])c3ccccc32)n1 ZINC001168546204 789142154 /nfs/dbraw/zinc/14/21/54/789142154.db2.gz UGURXRIAYROWPL-GFCCVEGCSA-N 2 0 341.484 2.469 20 10 EECDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179983197 800198605 /nfs/dbraw/zinc/19/86/05/800198605.db2.gz OCYVASZUOFVVMR-WMZOPIPTSA-N 2 0 347.503 2.424 20 10 EECDRP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834869 467149172 /nfs/dbraw/zinc/14/91/72/467149172.db2.gz OVOUKNVQWIOEQG-ICSRJNTNSA-N 2 0 329.488 2.439 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)c3ccccc3)cc2)CC1 ZINC000771846312 577234039 /nfs/dbraw/zinc/23/40/39/577234039.db2.gz MAUCOJVCFWEOGN-OAQYLSRUSA-N 2 0 339.483 2.436 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+](C[C@H]3CCOC3)C3CC3)cc2)CC1 ZINC000775649923 577441781 /nfs/dbraw/zinc/44/17/81/577441781.db2.gz UWACQXQZPBRENV-GOSISDBHSA-N 2 0 329.488 2.439 20 10 EECDRP C[C@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777220052 577475194 /nfs/dbraw/zinc/47/51/94/577475194.db2.gz OMUWPADDZLLRAF-MRXNPFEDSA-N 2 0 346.519 2.173 20 10 EECDRP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000763613970 577723426 /nfs/dbraw/zinc/72/34/26/577723426.db2.gz KWQINJRNBARHKJ-LJQANCHMSA-N 3 0 330.520 2.355 20 10 EECDRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000756550848 577846487 /nfs/dbraw/zinc/84/64/87/577846487.db2.gz SUNZXNTUCQHUIS-STQMWFEESA-N 2 0 339.867 2.284 20 10 EECDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251029 676247292 /nfs/dbraw/zinc/24/72/92/676247292.db2.gz BYGNJYJLVYZBSY-GPMSIDNRSA-N 2 0 346.519 2.344 20 10 EECDRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1SC ZINC000895607545 684661224 /nfs/dbraw/zinc/66/12/24/684661224.db2.gz OMJKJRANNJCBAX-IPMKNSEASA-N 2 0 349.544 2.437 20 10 EECDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877524979 1199956519 /nfs/dbraw/zinc/95/65/19/1199956519.db2.gz MSOYJUQJAMVTJV-SFHVURJKSA-N 2 0 331.504 2.468 20 10 EECDRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881852420 1201775203 /nfs/dbraw/zinc/77/52/03/1201775203.db2.gz PJYXRGVOYWPQIA-INIZCTEOSA-N 2 0 346.519 2.221 20 10 EECDRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289579 1202041410 /nfs/dbraw/zinc/04/14/10/1202041410.db2.gz TWTLBEZEMZUXIH-IBGZPJMESA-N 2 0 339.487 2.339 20 10 EECDRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883290631 1202041447 /nfs/dbraw/zinc/04/14/47/1202041447.db2.gz AQLAABCNNZHVOD-HNNXBMFYSA-N 2 0 325.460 2.388 20 10 EECDRP Cc1ccc(O)c(C[NH+]2CCC3(CC[N@@H+](CC(=O)N(C)C)C3)CC2)c1 ZINC001275311746 1205306000 /nfs/dbraw/zinc/30/60/00/1205306000.db2.gz LKSBGRXRMYLLIW-UHFFFAOYSA-N 2 0 345.487 2.077 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001044959922 1233404773 /nfs/dbraw/zinc/40/47/73/1233404773.db2.gz PPCCDVIEUFFUDS-ZWKOTPCHSA-N 2 0 345.487 2.178 20 10 EECDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850565834 1277268707 /nfs/dbraw/zinc/26/87/07/1277268707.db2.gz IDYUBUSBAKBMQG-OXJNMPFZSA-N 2 0 331.504 2.468 20 10 EECDRP CC(C)C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC001235881722 1305437657 /nfs/dbraw/zinc/43/76/57/1305437657.db2.gz QHFYNSZAGJMYGQ-IBGZPJMESA-N 2 0 330.520 2.258 20 10 EECDRP CC(C)N(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468464 1305584781 /nfs/dbraw/zinc/58/47/81/1305584781.db2.gz NSRDSRFGQARESA-HXUWFJFHSA-N 2 0 330.520 2.401 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256090 1314722003 /nfs/dbraw/zinc/72/20/03/1314722003.db2.gz SSUDJFROZMFZNM-KUHUBIRLSA-N 2 0 336.476 2.445 20 10 EECDRP CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841005280 1315452993 /nfs/dbraw/zinc/45/29/93/1315452993.db2.gz KKALZDRURJUCGH-SFHVURJKSA-N 2 0 346.519 2.160 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CC[NH3+])cc3)cc2)CC1 ZINC000841032088 1315459344 /nfs/dbraw/zinc/45/93/44/1315459344.db2.gz JXXLMRHXMVLOLN-UHFFFAOYSA-N 3 0 338.499 2.229 20 10 EECDRP [NH3+]Cc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000843128998 1315850005 /nfs/dbraw/zinc/85/00/05/1315850005.db2.gz OCDFFLYBFXOYIE-UHFFFAOYSA-N 2 0 329.419 2.411 20 10 EECDRP CCOC(=O)CC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001258475510 1319268535 /nfs/dbraw/zinc/26/85/35/1319268535.db2.gz HTIBHKDOUOESQF-INIZCTEOSA-N 2 0 333.476 2.260 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1C[NH3+] ZINC001205651419 1323229147 /nfs/dbraw/zinc/22/91/47/1323229147.db2.gz DZJDRJCUYNNTRN-IRXDYDNUSA-N 3 0 348.510 2.384 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205651417 1323229520 /nfs/dbraw/zinc/22/95/20/1323229520.db2.gz DZJDRJCUYNNTRN-DLBZAZTESA-N 3 0 348.510 2.384 20 10 EECDRP CCN(CC)c1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)c(O)c1 ZINC001140854855 761948112 /nfs/dbraw/zinc/94/81/12/761948112.db2.gz DLRJJZQDBUUBSF-UHFFFAOYSA-N 2 0 336.524 2.164 20 10 EECDRP CCOc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000809741345 783348414 /nfs/dbraw/zinc/34/84/14/783348414.db2.gz NFBAVKSUEHGUNQ-SFHVURJKSA-N 2 0 347.503 2.391 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cc2F)CC1 ZINC000817902290 785054854 /nfs/dbraw/zinc/05/48/54/785054854.db2.gz MKIQPJLDXNJAFH-LPHOPBHVSA-N 3 0 348.510 2.445 20 10 EECDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935969 785083542 /nfs/dbraw/zinc/08/35/42/785083542.db2.gz RDTGRIMUYBFZKX-WMLDXEAASA-N 2 0 339.430 2.409 20 10 EECDRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC000999831870 795032334 /nfs/dbraw/zinc/03/23/34/795032334.db2.gz NBLRXMUEVDKFAD-AOCRQIFASA-N 2 0 345.487 2.034 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCO[C@@H]3CCCCO3)cc2)CC1 ZINC000922231284 799974750 /nfs/dbraw/zinc/97/47/50/799974750.db2.gz FDBXNIMLDZTCHX-HXUWFJFHSA-N 2 0 347.503 2.461 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C ZINC001086327725 802749922 /nfs/dbraw/zinc/74/99/22/802749922.db2.gz OKLREMDWATWNSW-KZNAEPCWSA-N 2 0 345.487 2.082 20 10 EECDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)CC1 ZINC000119593750 462913445 /nfs/dbraw/zinc/91/34/45/462913445.db2.gz CYOXQFIKFXSJRI-KRWDZBQOSA-N 2 0 334.483 2.104 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C4OCCO4)C3)cc2)CC1 ZINC000775675427 577442424 /nfs/dbraw/zinc/44/24/24/577442424.db2.gz ZQMWWNHSBNTUNG-SFHVURJKSA-N 2 0 345.487 2.023 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)CC[NH2+]C(C)(C)C)[NH+](C)C)cc1 ZINC000891257135 676252576 /nfs/dbraw/zinc/25/25/76/676252576.db2.gz DCXXOPBRABCKIS-KRWDZBQOSA-N 2 0 334.508 2.250 20 10 EECDRP OC1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000876929030 1199821830 /nfs/dbraw/zinc/82/18/30/1199821830.db2.gz FZXHLPZFYLGEGD-QGZVFWFLSA-N 2 0 329.488 2.222 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)c2occc2C[NH+](C)C)cc1C ZINC001132985478 1200276432 /nfs/dbraw/zinc/27/64/32/1200276432.db2.gz GZPZSYWTAMPYSE-UHFFFAOYSA-N 2 0 345.443 2.178 20 10 EECDRP Cc1cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)ccc1N(C)C ZINC000879594343 1201163479 /nfs/dbraw/zinc/16/34/79/1201163479.db2.gz FXDCKHYBMULSGO-UHFFFAOYSA-N 2 0 330.520 2.273 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1C ZINC001019381259 1229050933 /nfs/dbraw/zinc/05/09/33/1229050933.db2.gz CTYAPOUGKIZNFP-WMZOPIPTSA-N 2 0 345.487 2.178 20 10 EECDRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001000227581 1240082201 /nfs/dbraw/zinc/08/22/01/1240082201.db2.gz OKKUUITZIHRQTD-MSOLQXFVSA-N 2 0 347.503 2.424 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4cccc(O)c4C3)cn2)CC1 ZINC001232361959 1304094347 /nfs/dbraw/zinc/09/43/47/1304094347.db2.gz GWJRMRRHDJHPFZ-UHFFFAOYSA-N 2 0 338.455 2.097 20 10 EECDRP Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235064658 1305102816 /nfs/dbraw/zinc/10/28/16/1305102816.db2.gz SCHBQMFXKDYLIW-HXUWFJFHSA-N 2 0 341.430 2.336 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235420770 1305225013 /nfs/dbraw/zinc/22/50/13/1305225013.db2.gz ASBBNAPGIZJELO-HZPDHXFCSA-N 3 0 345.487 2.086 20 10 EECDRP c1ccc([C@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CCN2)cc1 ZINC001235852462 1305425071 /nfs/dbraw/zinc/42/50/71/1305425071.db2.gz DZQWUUSKTNIQLK-OAQYLSRUSA-N 2 0 336.483 2.243 20 10 EECDRP COc1cc(CN2CC[C@H]([N@H+](C)C(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139258933 1314722722 /nfs/dbraw/zinc/72/27/22/1314722722.db2.gz BJBLBEXEJFVBJR-KRWDZBQOSA-N 2 0 335.492 2.377 20 10 EECDRP CCN(Cc1ccccc1)c1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000841093073 1315473502 /nfs/dbraw/zinc/47/35/02/1315473502.db2.gz QJZSGUKQZZZFDF-FQEVSTJZSA-N 2 0 327.472 2.465 20 10 EECDRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1SC ZINC000842767300 1315769875 /nfs/dbraw/zinc/76/98/75/1315769875.db2.gz OMJKJRANNJCBAX-QRVBRYPASA-N 2 0 349.544 2.437 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1C ZINC000843058124 1315831935 /nfs/dbraw/zinc/83/19/35/1315831935.db2.gz PVGHHFRMBFJHQB-AEFFLSMTSA-N 2 0 345.487 2.089 20 10 EECDRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843125226 1315849530 /nfs/dbraw/zinc/84/95/30/1315849530.db2.gz OLOKCSYHOUJGNZ-QZTJIDSGSA-N 2 0 347.478 2.484 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2F)CC1 ZINC000843343173 1315894328 /nfs/dbraw/zinc/89/43/28/1315894328.db2.gz VZFAVAAPMFCKBE-BRWVUGGUSA-N 2 0 347.478 2.265 20 10 EECDRP COC(=O)Cc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c(O)c1 ZINC001249213912 1317023753 /nfs/dbraw/zinc/02/37/53/1317023753.db2.gz CBSOCVPSQDBXHV-UHFFFAOYSA-N 2 0 346.471 2.416 20 10 EECDRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001263260077 1322448837 /nfs/dbraw/zinc/44/88/37/1322448837.db2.gz PYYUAVOKTWQNNI-QZTJIDSGSA-N 2 0 334.508 2.235 20 10 EECDRP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC001308204584 1331572388 /nfs/dbraw/zinc/57/23/88/1331572388.db2.gz ACRRMGMCQRUGOM-WOJBJXKFSA-N 2 0 328.504 2.155 20 10 EECDRP CN1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cc2F)CC1 ZINC001325319618 1333862690 /nfs/dbraw/zinc/86/26/90/1333862690.db2.gz MNCKGXKIAOECPX-QAQDUYKDSA-N 2 0 348.510 2.432 20 10 EECDRP CN1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cc2F)CC1 ZINC001331418968 1335010542 /nfs/dbraw/zinc/01/05/42/1335010542.db2.gz MOXHDCYBIGGOSY-SJLPKXTDSA-N 2 0 334.483 2.185 20 10 EECDRP COc1ccc(C[NH2+]C2CCN(C(=O)CCC[NH+](C)C)CC2)cc1C ZINC001202239211 1368909939 /nfs/dbraw/zinc/90/99/39/1368909939.db2.gz SWXBHDMPEIIBGD-UHFFFAOYSA-N 2 0 347.503 2.426 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C3)CCCOC4)cc2)CC1 ZINC000793619647 810441103 /nfs/dbraw/zinc/44/11/03/810441103.db2.gz JLHVETMKUKUGAV-HXUWFJFHSA-N 2 0 329.488 2.441 20 10 EECDRP C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1cc(F)ccc1O ZINC000273561311 464720190 /nfs/dbraw/zinc/72/01/90/464720190.db2.gz ICJMJSABPRZCFT-XJKSGUPXSA-N 2 0 337.439 2.125 20 10 EECDRP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000756548871 577846330 /nfs/dbraw/zinc/84/63/30/577846330.db2.gz LPBLJTISTMXOMV-VNHYZAJKSA-N 2 0 349.450 2.257 20 10 EECDRP C[C@H]1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000891248400 676242433 /nfs/dbraw/zinc/24/24/33/676242433.db2.gz LIZUOVSYNIXGFR-VDZJLULYSA-N 2 0 346.519 2.202 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)CCCn2ccnc2)[NH+](C)C)cc1 ZINC000891252811 676249059 /nfs/dbraw/zinc/24/90/59/676249059.db2.gz NWXCBTKGVOSYEF-SFHVURJKSA-N 2 0 343.475 2.148 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCO[C@H]3CCCCO3)cc2)CC1 ZINC000894798177 683097596 /nfs/dbraw/zinc/09/75/96/683097596.db2.gz CDGWRDMTMPJGLB-IBGZPJMESA-N 2 0 333.476 2.071 20 10 EECDRP COc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000895607648 684661227 /nfs/dbraw/zinc/66/12/27/684661227.db2.gz SGTINYLFTFNLOA-UHFFFAOYSA-N 2 0 332.473 2.193 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCOC3CCSCC3)cc2)CC1 ZINC000898441030 693320895 /nfs/dbraw/zinc/32/08/95/693320895.db2.gz YTHODZJDOCROKW-UHFFFAOYSA-N 2 0 349.544 2.440 20 10 EECDRP Cc1ccc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c(O)c1 ZINC000877076633 1199859192 /nfs/dbraw/zinc/85/91/92/1199859192.db2.gz OPLMNFGQDSQYBQ-UHFFFAOYSA-N 2 0 347.503 2.417 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001018999014 1228618390 /nfs/dbraw/zinc/61/83/90/1228618390.db2.gz CPOUUNFPKDHHGP-HKUYNNGSSA-N 2 0 347.503 2.280 20 10 EECDRP COc1ccc(N2CCOC[C@]3(CCC[N@H+](CCCC[NH3+])C3)C2)cc1 ZINC001235493626 1305252773 /nfs/dbraw/zinc/25/27/73/1305252773.db2.gz PNCPYPFKBFDNDZ-FQEVSTJZSA-N 2 0 347.503 2.353 20 10 EECDRP C[NH+](C)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236929209 1305731839 /nfs/dbraw/zinc/73/18/39/1305731839.db2.gz BFKPGQGGEAWRFN-UHFFFAOYSA-N 2 0 334.483 2.104 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(CCCO4)C3)c(F)c2)CC1 ZINC001236934020 1305736183 /nfs/dbraw/zinc/73/61/83/1305736183.db2.gz BKILNVAKQPHWNC-LJQANCHMSA-N 2 0 333.451 2.332 20 10 EECDRP COC(=O)CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CC1 ZINC001236948851 1305742715 /nfs/dbraw/zinc/74/27/15/1305742715.db2.gz XRABGCNUTBIMRI-UHFFFAOYSA-N 2 0 349.450 2.105 20 10 EECDRP OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237391067 1305916477 /nfs/dbraw/zinc/91/64/77/1305916477.db2.gz JYFQSNBXYQLYII-FXAWDEMLSA-N 2 0 329.488 2.222 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@]1(C)CO ZINC001118667687 1308918118 /nfs/dbraw/zinc/91/81/18/1308918118.db2.gz FFIVEMNYKYFHSU-HNAYVOBHSA-N 2 0 335.467 2.028 20 10 EECDRP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](CC)[NH2+]1 ZINC001246172201 1310252185 /nfs/dbraw/zinc/25/21/85/1310252185.db2.gz GMQPFMLNFMDVEM-REPLKXPHSA-N 3 0 330.520 2.495 20 10 EECDRP CCCC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177136 1310253697 /nfs/dbraw/zinc/25/36/97/1310253697.db2.gz ZGRDACIGISWNCP-OALUTQOASA-N 3 0 330.520 2.497 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001161042388 1320365650 /nfs/dbraw/zinc/36/56/50/1320365650.db2.gz PRNBBFXJULEKHQ-QGZVFWFLSA-N 2 0 333.476 2.084 20 10 EECDRP COc1cc(C[N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139260061 1314722857 /nfs/dbraw/zinc/72/28/57/1314722857.db2.gz LPJBJBKGUINZKG-HOCLYGCPSA-N 2 0 332.444 2.263 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCO)C3)cc2)CC1 ZINC001140304059 1314861985 /nfs/dbraw/zinc/86/19/85/1314861985.db2.gz GSXNTTLAYIRDHR-GOSISDBHSA-N 2 0 331.504 2.423 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCCC[C@@](F)(C[NH3+])C3)cc2)CC1 ZINC001206351800 1323466890 /nfs/dbraw/zinc/46/68/90/1323466890.db2.gz INDQBKZVUZJVON-LJQANCHMSA-N 2 0 334.483 2.091 20 10 EECDRP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001276537736 1324000673 /nfs/dbraw/zinc/00/06/73/1324000673.db2.gz MUEWPIYGBWNBBB-UHFFFAOYSA-N 2 0 335.467 2.381 20 10 EECDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817893869 785048237 /nfs/dbraw/zinc/04/82/37/785048237.db2.gz JKFXSLHFUQZRPO-KSSFIOAISA-N 2 0 335.467 2.265 20 10 EECDRP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)ccc1O ZINC000817982709 785130851 /nfs/dbraw/zinc/13/08/51/785130851.db2.gz VPYNRVFTQVFEBO-JQWIXIFHSA-N 2 0 329.238 2.184 20 10 EECDRP COc1cccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000846137269 790072372 /nfs/dbraw/zinc/07/23/72/790072372.db2.gz DFIDUSCLLYVZGB-DOTOQJQBSA-N 2 0 335.492 2.323 20 10 EECDRP COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001172593052 797024536 /nfs/dbraw/zinc/02/45/36/797024536.db2.gz RWCNLAJIAYIBQJ-ROUUACIJSA-N 2 0 345.487 2.260 20 10 EECDRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000785987180 806657487 /nfs/dbraw/zinc/65/74/87/806657487.db2.gz FHTZEQHQXGTYGE-HLIPFELVSA-N 2 0 331.504 2.420 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000093133279 237044125 /nfs/dbraw/zinc/04/41/25/237044125.db2.gz IFMQHGOSJLOGQM-KRWDZBQOSA-N 2 0 333.476 2.003 20 10 EECDRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296042658 465060421 /nfs/dbraw/zinc/06/04/21/465060421.db2.gz QRYKLJKRCJCLRD-KRWDZBQOSA-N 2 0 338.455 2.316 20 10 EECDRP COc1ccc(N2CC[NH+](CCCNc3ccnc(C)n3)CC2)cc1 ZINC000266089583 464764325 /nfs/dbraw/zinc/76/43/25/464764325.db2.gz DFDJGYRKEPYPLC-UHFFFAOYSA-N 2 0 341.459 2.418 20 10 EECDRP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)Cn1ccnc1 ZINC000771818921 577232644 /nfs/dbraw/zinc/23/26/44/577232644.db2.gz NSQOYXIZAFWYHJ-QGZVFWFLSA-N 2 0 327.476 2.061 20 10 EECDRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1 ZINC001275821203 1205549868 /nfs/dbraw/zinc/54/98/68/1205549868.db2.gz JMJRNHTYXOZEOQ-UHFFFAOYSA-N 2 0 347.503 2.337 20 10 EECDRP Cc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276169638 1205811552 /nfs/dbraw/zinc/81/15/52/1205811552.db2.gz UMOIFEVBWCSRTJ-HDICACEKSA-N 2 0 331.504 2.406 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000925761081 1206151183 /nfs/dbraw/zinc/15/11/83/1206151183.db2.gz ADSLZHWZKVENQV-NJDAHSKKSA-N 3 0 342.531 2.449 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN(C)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC001236208598 1305535598 /nfs/dbraw/zinc/53/55/98/1305535598.db2.gz SUWPQTJKGHINNT-FQEVSTJZSA-N 2 0 330.520 2.402 20 10 EECDRP CC(C)CN(Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCC[NH2+]C1 ZINC001236476602 1305585587 /nfs/dbraw/zinc/58/55/87/1305585587.db2.gz ZJYAQVGXOUJJDS-QGZVFWFLSA-N 2 0 333.476 2.084 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246171126 1310252486 /nfs/dbraw/zinc/25/24/86/1310252486.db2.gz BRKIOUNBNCNECX-GOSISDBHSA-N 3 0 328.504 2.108 20 10 EECDRP CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410729 1314740683 /nfs/dbraw/zinc/74/06/83/1314740683.db2.gz AWZIMDAIVZWFJI-FQEVSTJZSA-N 2 0 330.520 2.353 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)cc2)CC1 ZINC001139413788 1314741364 /nfs/dbraw/zinc/74/13/64/1314741364.db2.gz ZSXIRNHVZGBKLC-JVSBHGNQSA-N 2 0 327.472 2.048 20 10 EECDRP CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326187487 1334039348 /nfs/dbraw/zinc/03/93/48/1334039348.db2.gz GWFDNXKFSBYCMT-RDJZCZTQSA-N 2 0 337.483 2.464 20 10 EECDRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001326236467 1334049241 /nfs/dbraw/zinc/04/92/41/1334049241.db2.gz JMBMFKRGZODLFH-IBGZPJMESA-N 2 0 344.503 2.106 20 10 EECDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001326992023 1334198608 /nfs/dbraw/zinc/19/86/08/1334198608.db2.gz WTMYXKWNKWUFDK-HNNXBMFYSA-N 2 0 334.483 2.137 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@@H]3C[NH2+]CC[C@@H]3C)cc2F)CC1 ZINC000817902830 785055536 /nfs/dbraw/zinc/05/55/36/785055536.db2.gz YYHWDIYTSDOBFM-MAUKXSAKSA-N 2 0 334.483 2.055 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C2CC[NH+](C(C)C)CC2)cc1C ZINC001146383886 791256495 /nfs/dbraw/zinc/25/64/95/791256495.db2.gz KYAHUMMWQBCPBB-UHFFFAOYSA-N 2 0 347.503 2.330 20 10 EECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000194260470 463822792 /nfs/dbraw/zinc/82/27/92/463822792.db2.gz LDHYQGQEFOPVHR-CRAIPNDOSA-N 2 0 335.492 2.323 20 10 EECDRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1O ZINC000183424223 464863088 /nfs/dbraw/zinc/86/30/88/464863088.db2.gz LHLDQBUYFNYUKW-HNNXBMFYSA-N 2 0 326.444 2.390 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378374175 467284431 /nfs/dbraw/zinc/28/44/31/467284431.db2.gz VLDQDXWORPJESU-SZVBFZGTSA-N 2 0 334.460 2.474 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC[C@@H]3C)cc2F)CC1 ZINC000192542319 529153314 /nfs/dbraw/zinc/15/33/14/529153314.db2.gz RWXQYSLINXLQNL-YJBOKZPZSA-N 2 0 335.467 2.482 20 10 EECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726596 577443968 /nfs/dbraw/zinc/44/39/68/577443968.db2.gz USROIWYMYLCDCN-IBGZPJMESA-N 3 0 330.520 2.212 20 10 EECDRP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001275959500 1205603339 /nfs/dbraw/zinc/60/33/39/1205603339.db2.gz CGPDMZDQKKEPOO-OYRHEFFESA-N 2 0 342.531 2.497 20 10 EECDRP Fc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(F)c1N1CCOCC1 ZINC000817936274 1277899146 /nfs/dbraw/zinc/89/91/46/1277899146.db2.gz RHDUSXFAYXSSLJ-AWEZNQCLSA-N 2 0 325.403 2.033 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152525 1305129346 /nfs/dbraw/zinc/12/93/46/1305129346.db2.gz GIGKZIVIKWILMM-OAQYLSRUSA-N 3 0 342.531 2.450 20 10 EECDRP CN(C)c1cc(F)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1F ZINC000858161526 1294027955 /nfs/dbraw/zinc/02/79/55/1294027955.db2.gz AHTAEZBSDDXEBX-UHFFFAOYSA-N 2 0 340.462 2.146 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314855 1299473416 /nfs/dbraw/zinc/47/34/16/1299473416.db2.gz JMROZPRTUDRZLD-HXUWFJFHSA-N 3 0 328.504 2.204 20 10 EECDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@]1(C)CCC[NH2+]C1 ZINC001236204556 1305533021 /nfs/dbraw/zinc/53/30/21/1305533021.db2.gz BMZFUQMPZBBOQR-IBGZPJMESA-N 2 0 334.483 2.151 20 10 EECDRP C[NH+](C)CCN(Cc1cc(F)c(Cl)cc1O)[C@H]1CCC[NH2+]C1 ZINC001236933614 1305735870 /nfs/dbraw/zinc/73/58/70/1305735870.db2.gz VHDCSUYCTLNFNU-ZDUSSCGKSA-N 2 0 329.847 2.300 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[N@@H+]4CCC[C@H]4C3)c(F)c2)CC1 ZINC001236933943 1305736096 /nfs/dbraw/zinc/73/60/96/1305736096.db2.gz AWJLKZYBDLXZJG-IBGZPJMESA-N 2 0 346.494 2.248 20 10 EECDRP CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001120629608 1309651791 /nfs/dbraw/zinc/65/17/91/1309651791.db2.gz IKWTYAVQAPWGDO-QGZVFWFLSA-N 2 0 349.523 2.172 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1O ZINC000841061526 1315465277 /nfs/dbraw/zinc/46/52/77/1315465277.db2.gz JQIUTPZJQCIPHO-CABZTGNLSA-N 2 0 329.238 2.393 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1O ZINC000841084625 1315470768 /nfs/dbraw/zinc/47/07/68/1315470768.db2.gz MBXRMDSUKQQDOP-SKDRFNHKSA-N 2 0 329.238 2.380 20 10 EECDRP [NH3+]CCN(c1cccc2ccccc21)c1ncnc2c1CC[NH2+]CC2 ZINC001154679257 1317263337 /nfs/dbraw/zinc/26/33/37/1317263337.db2.gz BPDQYGDPLGRTMG-UHFFFAOYSA-N 2 0 333.439 2.415 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157435087 1318638028 /nfs/dbraw/zinc/63/80/28/1318638028.db2.gz RGRDMVBKZCDFOY-SJLPKXTDSA-N 2 0 345.487 2.076 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@](F)(C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205558801 1323194383 /nfs/dbraw/zinc/19/43/83/1323194383.db2.gz IRORRRMJUCZQOU-GOSISDBHSA-N 3 0 339.455 2.115 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(OC)c1 ZINC001205672260 1323238645 /nfs/dbraw/zinc/23/86/45/1323238645.db2.gz HHUSHHZJIISAKF-LJQANCHMSA-N 2 0 335.492 2.217 20 10 EECDRP COc1cc(CN2CCCC[C@@](C)(C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206547023 1323528650 /nfs/dbraw/zinc/52/86/50/1323528650.db2.gz AQTPSYYIXNALJM-IBGZPJMESA-N 2 0 335.492 2.413 20 10 EECDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001323828986 1333549052 /nfs/dbraw/zinc/54/90/52/1333549052.db2.gz FQODCFHNRDLMNJ-PMPSAXMXSA-N 2 0 345.487 2.426 20 10 EECDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C[NH3+] ZINC000817865982 785032216 /nfs/dbraw/zinc/03/22/16/785032216.db2.gz QUYLOJGHKHNWOV-BFYDXBDKSA-N 2 0 335.467 2.468 20 10 EECDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935967 785083737 /nfs/dbraw/zinc/08/37/37/785083737.db2.gz RDTGRIMUYBFZKX-RHSMWYFYSA-N 2 0 339.430 2.409 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000194260457 463823663 /nfs/dbraw/zinc/82/36/63/463823663.db2.gz LDHYQGQEFOPVHR-YJBOKZPZSA-N 2 0 335.492 2.323 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370698981 466970044 /nfs/dbraw/zinc/97/00/44/466970044.db2.gz KJTHNUBUADOSHB-VQIMIIECSA-N 2 0 347.503 2.249 20 10 EECDRP CC[N@H+](Cc1cnn(C)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775661163 577442053 /nfs/dbraw/zinc/44/20/53/577442053.db2.gz MORLEVBXJFVWRH-UHFFFAOYSA-N 2 0 327.476 2.194 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)[C@H](O)CO2 ZINC000768462929 577556281 /nfs/dbraw/zinc/55/62/81/577556281.db2.gz OXCJZSXEOMLWJD-BOFPYLFWSA-N 2 0 344.455 2.267 20 10 EECDRP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000756548841 577846403 /nfs/dbraw/zinc/84/64/03/577846403.db2.gz LPBLJTISTMXOMV-IPYPFGDCSA-N 2 0 349.450 2.257 20 10 EECDRP COc1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c(O)c1OC ZINC000894544425 682962647 /nfs/dbraw/zinc/96/26/47/682962647.db2.gz FOWJWWTZMBNPPT-UHFFFAOYSA-N 2 0 340.489 2.326 20 10 EECDRP Cc1cc(O)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000825915901 1199799033 /nfs/dbraw/zinc/79/90/33/1199799033.db2.gz DBUDERQLBVUNFF-UHFFFAOYSA-N 2 0 325.884 2.423 20 10 EECDRP Cc1cccc(O)c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000877150083 1199870038 /nfs/dbraw/zinc/87/00/38/1199870038.db2.gz WJUKLEFNPYBQGP-UHFFFAOYSA-N 2 0 341.455 2.282 20 10 EECDRP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC000811517994 1200103450 /nfs/dbraw/zinc/10/34/50/1200103450.db2.gz GMPPPGBHYXIRFZ-HXUWFJFHSA-N 2 0 339.487 2.390 20 10 EECDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000883289652 1202041281 /nfs/dbraw/zinc/04/12/81/1202041281.db2.gz WFKPRJBGBWLQMJ-KRWDZBQOSA-N 3 0 330.520 2.258 20 10 EECDRP Oc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(O)c1 ZINC001275952907 1205601453 /nfs/dbraw/zinc/60/14/53/1205601453.db2.gz ONPKZFPQTMWIBO-IYBDPMFKSA-N 2 0 342.443 2.165 20 10 EECDRP Cc1cccc(C[N@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c1O ZINC001273770104 1285290478 /nfs/dbraw/zinc/29/04/78/1285290478.db2.gz OBPVBDHCHUIQFP-FQEVSTJZSA-N 2 0 345.487 2.219 20 10 EECDRP CC[NH+](CC)CCN(C)C(=O)C12CC([NH2+]Cc3ccccc3O)(C1)C2 ZINC001277441248 1303029829 /nfs/dbraw/zinc/02/98/29/1303029829.db2.gz JZDDFKKBCREJSX-UHFFFAOYSA-N 2 0 345.487 2.205 20 10 EECDRP CCC[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[NH2+]1 ZINC001236178247 1305524639 /nfs/dbraw/zinc/52/46/39/1305524639.db2.gz IUJGTFYZYSGEGA-KRWDZBQOSA-N 2 0 334.483 2.151 20 10 EECDRP COc1cc(C[NH+]2CCC(n3cccn3)CC2)cc(C[NH+](C)C)c1O ZINC001139258951 1314723038 /nfs/dbraw/zinc/72/30/38/1314723038.db2.gz BSAJWULCEYGMQY-UHFFFAOYSA-N 2 0 344.459 2.496 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)(O)[C@@H](C)C3)cc2)CC1 ZINC001140302506 1314861049 /nfs/dbraw/zinc/86/10/49/1314861049.db2.gz SOXIDFLKWNEFOH-PXNSSMCTSA-N 2 0 331.504 2.421 20 10 EECDRP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1O ZINC000840831014 1315419087 /nfs/dbraw/zinc/41/90/87/1315419087.db2.gz KGTULDBBXSTQAG-SFHVURJKSA-N 2 0 347.503 2.230 20 10 EECDRP NC1(C[NH2+]Cc2ccccc2O)CC[NH+](Cc2ccccc2)CC1 ZINC000841104824 1315476539 /nfs/dbraw/zinc/47/65/39/1315476539.db2.gz UFKOJAUQSHUVLJ-UHFFFAOYSA-N 2 0 325.456 2.475 20 10 EECDRP Nc1cccnc1N(CC1CC[NH2+]CC1)c1ccc2c(c1)CC[NH2+]C2 ZINC001159333829 1319745316 /nfs/dbraw/zinc/74/53/16/1319745316.db2.gz MFRZTUNXNQILIG-UHFFFAOYSA-N 2 0 337.471 2.447 20 10 EECDRP C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(Cc3ccc(O)c(O)c3)C2)C1 ZINC001203878184 1321981383 /nfs/dbraw/zinc/98/13/83/1321981383.db2.gz QPRARMJXZWKKKO-YLJYHZDGSA-N 2 0 346.471 2.278 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205618024 1323217925 /nfs/dbraw/zinc/21/79/25/1323217925.db2.gz QRKUNJHHEYKLCO-MJGOQNOKSA-N 3 0 330.520 2.245 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3C[C@@H](C)CC[C@@H]3C[NH3+])cc2)CC1 ZINC001205832028 1323313398 /nfs/dbraw/zinc/31/33/98/1323313398.db2.gz YZBJRFCNNCBBNQ-FXAWDEMLSA-N 3 0 330.520 2.388 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001206310741 1323452520 /nfs/dbraw/zinc/45/25/20/1323452520.db2.gz BIDAZDGETZOQFN-LJQANCHMSA-N 3 0 335.492 2.413 20 10 EECDRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676239 1334141412 /nfs/dbraw/zinc/14/14/12/1334141412.db2.gz PYGJJRWESMRIGL-ZWKOTPCHSA-N 2 0 332.492 2.133 20 10 EECDRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676237 1334141466 /nfs/dbraw/zinc/14/14/66/1334141466.db2.gz PYGJJRWESMRIGL-ROUUACIJSA-N 2 0 332.492 2.133 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000848718834 1373170797 /nfs/dbraw/zinc/17/07/97/1373170797.db2.gz RBEOOYNPSZIWMB-DLBZAZTESA-N 3 0 334.483 2.327 20 10 EECDRP CC[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[NH+](CC)CC ZINC000893608073 774771903 /nfs/dbraw/zinc/77/19/03/774771903.db2.gz OURMOALSOAYPKZ-IBGZPJMESA-N 2 0 346.519 2.175 20 10 EECDRP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1 ZINC000817971626 785123311 /nfs/dbraw/zinc/12/33/11/785123311.db2.gz FWVDYUUQFXQYSJ-HIFRSBDPSA-N 2 0 345.409 2.496 20 10 EECDRP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c1O ZINC000817980748 785129305 /nfs/dbraw/zinc/12/93/05/785129305.db2.gz DFKSOXDSNXIVLW-WCQYABFASA-N 2 0 343.265 2.492 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C)cc1C ZINC001082449728 797535203 /nfs/dbraw/zinc/53/52/03/797535203.db2.gz GYYWXDDUQLCBBG-NXHRZFHOSA-N 2 0 345.487 2.034 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1C ZINC001185265349 802428543 /nfs/dbraw/zinc/42/85/43/802428543.db2.gz QIXYXQAAVLMEDD-QGZVFWFLSA-N 2 0 333.476 2.036 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C[NH+]2CCC(C)CC2)cc1C ZINC001169127557 803622978 /nfs/dbraw/zinc/62/29/78/803622978.db2.gz PLOGXLIWIIWXFY-UHFFFAOYSA-N 2 0 347.503 2.331 20 10 EECDRP COc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1O ZINC000093735113 533476233 /nfs/dbraw/zinc/47/62/33/533476233.db2.gz GPXBRSFQNZLHFS-UHFFFAOYSA-N 2 0 334.460 2.478 20 10 EECDRP COc1c([O-])c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490514 464120260 /nfs/dbraw/zinc/12/02/60/464120260.db2.gz ONMHBTICUBCLHW-OCCSQVGLSA-N 2 0 335.404 2.225 20 10 EECDRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000756550845 577846497 /nfs/dbraw/zinc/84/64/97/577846497.db2.gz SUNZXNTUCQHUIS-QWHCGFSZSA-N 2 0 339.867 2.284 20 10 EECDRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255987 676252078 /nfs/dbraw/zinc/25/20/78/676252078.db2.gz UPZKILPYJMPZHP-OALUTQOASA-N 2 0 346.519 2.346 20 10 EECDRP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1(C)OCCO1 ZINC000865674794 1198327104 /nfs/dbraw/zinc/32/71/04/1198327104.db2.gz ZPAAIMCLCUILRU-KRWDZBQOSA-N 2 0 347.503 2.317 20 10 EECDRP CN(C)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NCC[NH+](C)C)C3)cc1 ZINC001275833249 1205556001 /nfs/dbraw/zinc/55/60/01/1205556001.db2.gz DVYWYBDTNFNBRA-CTXDPNEZSA-N 2 0 330.520 2.399 20 10 EECDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000925777386 1206152962 /nfs/dbraw/zinc/15/29/62/1206152962.db2.gz NQQIYZHGRJRTOE-OALUTQOASA-N 2 0 344.503 2.138 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN(C)[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC001236208599 1305536125 /nfs/dbraw/zinc/53/61/25/1305536125.db2.gz SUWPQTJKGHINNT-HXUWFJFHSA-N 2 0 330.520 2.402 20 10 EECDRP C[NH+]1CCN(c2ccc(CN(C3CC3)[C@H]3CCC[NH2+]C3)c(F)c2)CC1 ZINC001236238729 1305541488 /nfs/dbraw/zinc/54/14/88/1305541488.db2.gz CISVGLZHPJVPEQ-IBGZPJMESA-N 2 0 346.494 2.294 20 10 EECDRP CCC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236937439 1305737572 /nfs/dbraw/zinc/73/75/72/1305737572.db2.gz HNTYIEVENGQGMH-UHFFFAOYSA-N 2 0 334.483 2.105 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000840933508 1315439640 /nfs/dbraw/zinc/43/96/40/1315439640.db2.gz GEIGNTYEAHLEDP-GOSISDBHSA-N 2 0 330.520 2.319 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Br ZINC001205247162 1322329765 /nfs/dbraw/zinc/32/97/65/1322329765.db2.gz CBQNIIOOBSDRRW-HNNXBMFYSA-N 2 0 343.265 2.139 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002743 1323366838 /nfs/dbraw/zinc/36/68/38/1323366838.db2.gz AFENOFIRACKVKX-MJGOQNOKSA-N 3 0 330.520 2.245 20 10 EECDRP CN1CCN(c2ccc(C[NH2+]CC3(C)CC[NH2+]CC3)cc2F)CC1 ZINC001328681526 1334497492 /nfs/dbraw/zinc/49/74/92/1334497492.db2.gz MTBNJSAPTLLXQV-UHFFFAOYSA-N 2 0 334.483 2.057 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000844162583 788906378 /nfs/dbraw/zinc/90/63/78/788906378.db2.gz IRHJWIASBNCNAX-SFHVURJKSA-N 2 0 332.492 2.135 20 10 EECDRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C ZINC000998549083 792979744 /nfs/dbraw/zinc/97/97/44/792979744.db2.gz KCLLCXQQEADDAW-DAWZGUTISA-N 2 0 345.487 2.177 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1C ZINC001176857749 798623983 /nfs/dbraw/zinc/62/39/83/798623983.db2.gz ZZBIYFOMYYQJTJ-IRXDYDNUSA-N 2 0 347.503 2.472 20 10 EECDRP Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)cc1Br ZINC001205255552 801478892 /nfs/dbraw/zinc/47/88/92/801478892.db2.gz JZSCCWXHAAYBOS-OAHLLOKOSA-N 2 0 343.265 2.139 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000273484321 464718034 /nfs/dbraw/zinc/71/80/34/464718034.db2.gz MWRFFBAVZIEIBF-BOFPYLFWSA-N 2 0 334.460 2.429 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378374176 467284081 /nfs/dbraw/zinc/28/40/81/467284081.db2.gz VLDQDXWORPJESU-VDZJLULYSA-N 2 0 334.460 2.474 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3Cc4cccc(O)c4C3)cc2)CC1 ZINC000758544293 577626696 /nfs/dbraw/zinc/62/66/96/577626696.db2.gz JJBNUCAPTNOJJG-GOSISDBHSA-N 2 0 337.467 2.401 20 10 EECDRP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000756548868 577846359 /nfs/dbraw/zinc/84/63/59/577846359.db2.gz LPBLJTISTMXOMV-UMVBOHGHSA-N 2 0 349.450 2.257 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1C ZINC000969947288 675332788 /nfs/dbraw/zinc/33/27/88/675332788.db2.gz CTYAPOUGKIZNFP-SJLPKXTDSA-N 2 0 345.487 2.178 20 10 EECDRP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482914053 1187839800 /nfs/dbraw/zinc/83/98/00/1187839800.db2.gz HFCVBMCUOGSSDE-QGZVFWFLSA-N 2 0 333.476 2.036 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3cccc(F)c3)cc2)CC1 ZINC000905425904 1189722808 /nfs/dbraw/zinc/72/28/08/1189722808.db2.gz CRJXTUZRHSEKTO-HXUWFJFHSA-N 2 0 343.446 2.401 20 10 EECDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877585793 1199973249 /nfs/dbraw/zinc/97/32/49/1199973249.db2.gz WYXAOKAXXQXTPA-SFHVURJKSA-N 2 0 331.504 2.469 20 10 EECDRP COc1ccc(N2CC[C@H](C[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)C2)cc1 ZINC000925709347 1206145174 /nfs/dbraw/zinc/14/51/74/1206145174.db2.gz VBXMXOXPAPFNLF-VRRLIPPPSA-N 2 0 327.472 2.108 20 10 EECDRP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H](O)C(F)(F)F ZINC000779192057 1209289464 /nfs/dbraw/zinc/28/94/64/1209289464.db2.gz DNZPYBFWKCOJDI-INIZCTEOSA-N 2 0 345.409 2.184 20 10 EECDRP CCC[N@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100905127 1259418283 /nfs/dbraw/zinc/41/82/83/1259418283.db2.gz XLCZMJWIWBNLDI-UHFFFAOYSA-N 2 0 347.503 2.330 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CCN[C@H](c3ccccc3)C1)C[NH2+]CCO2 ZINC001235857528 1305426636 /nfs/dbraw/zinc/42/66/36/1305426636.db2.gz VETVELYPHZLXNT-SFHVURJKSA-N 2 0 339.439 2.021 20 10 EECDRP CN(C)c1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)c2ccccc21 ZINC001236083431 1305497304 /nfs/dbraw/zinc/49/73/04/1305497304.db2.gz UPYDKYYBEANDSH-UHFFFAOYSA-N 2 0 326.488 2.243 20 10 EECDRP Cc1cc(Cl)cc(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)c1O ZINC001236934247 1305736956 /nfs/dbraw/zinc/73/69/56/1305736956.db2.gz WODANUDDRGQTJB-MRXNPFEDSA-N 2 0 325.884 2.470 20 10 EECDRP CC[NH+](CC)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236940342 1305738428 /nfs/dbraw/zinc/73/84/28/1305738428.db2.gz ZXOXKYQDGREFRQ-IBGZPJMESA-N 2 0 348.510 2.494 20 10 EECDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001116654445 1305909167 /nfs/dbraw/zinc/90/91/67/1305909167.db2.gz BLQLCUOYAMDOLU-GOSISDBHSA-N 2 0 330.520 2.402 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC001122414432 1310278092 /nfs/dbraw/zinc/27/80/92/1310278092.db2.gz QMLSXDQWAWKDDO-USYGPDCTSA-N 2 0 344.503 2.027 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)cc2)CC1 ZINC001140306217 1314863225 /nfs/dbraw/zinc/86/32/25/1314863225.db2.gz PRPDGUAHWOYJBA-UJOPUZHASA-N 2 0 341.499 2.438 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)cc2)CC1 ZINC001140306204 1314863273 /nfs/dbraw/zinc/86/32/73/1314863273.db2.gz OZZQBCGNXVZCBL-NSISKUIASA-N 2 0 329.488 2.295 20 10 EECDRP CC[NH2+]CC1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001577837764 1344204176 /nfs/dbraw/zinc/20/41/76/1344204176.db2.gz RAMPLEKSTAPMBG-UHFFFAOYSA-N 2 0 331.504 2.469 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2F)CC1 ZINC000817902482 785054947 /nfs/dbraw/zinc/05/49/47/785054947.db2.gz REYUAMVDEVZQPD-SJLPKXTDSA-N 3 0 334.483 2.185 20 10 EECDRP COc1ccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000817903964 785058862 /nfs/dbraw/zinc/05/88/62/785058862.db2.gz YKARQWVEEZRJEG-MDASCCDHSA-N 2 0 333.476 2.006 20 10 EECDRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000844220564 788910924 /nfs/dbraw/zinc/91/09/24/788910924.db2.gz ICSQTJRONYGNEL-GOSISDBHSA-N 2 0 334.508 2.016 20 10 EECDRP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)C1CC[NH+](C)CC1 ZINC000165199394 789405397 /nfs/dbraw/zinc/40/53/97/789405397.db2.gz LZGQBXFYJUNJKT-OAHLLOKOSA-N 2 0 335.467 2.482 20 10 EECDRP C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000846226163 790094380 /nfs/dbraw/zinc/09/43/80/790094380.db2.gz JAWSYBLQIQSJFN-VQIMIIECSA-N 2 0 346.519 2.160 20 10 EECDRP COc1c([O-])c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490520 464120634 /nfs/dbraw/zinc/12/06/34/464120634.db2.gz ONMHBTICUBCLHW-TZMCWYRMSA-N 2 0 335.404 2.225 20 10 EECDRP C[N@H+](Cc1ccccc1O)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310808 464620449 /nfs/dbraw/zinc/62/04/49/464620449.db2.gz ZMBCOZKDQGXVBH-FQEVSTJZSA-N 2 0 326.440 2.461 20 10 EECDRP CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378374174 467283538 /nfs/dbraw/zinc/28/35/38/467283538.db2.gz VLDQDXWORPJESU-KVSKMBFKSA-N 2 0 334.460 2.474 20 10 EECDRP COC(=O)CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)C ZINC000775655172 577441913 /nfs/dbraw/zinc/44/19/13/577441913.db2.gz WPCFCBXJBKSXHR-UHFFFAOYSA-N 2 0 347.503 2.460 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)[C@@H](O)CO2 ZINC000768462934 577556358 /nfs/dbraw/zinc/55/63/58/577556358.db2.gz OXCJZSXEOMLWJD-XVSDVWIESA-N 2 0 344.455 2.267 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC000969815529 675228367 /nfs/dbraw/zinc/22/83/67/675228367.db2.gz WAWDLJAGQWCXMH-GOSISDBHSA-N 2 0 345.487 2.036 20 10 EECDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001128783487 1195538369 /nfs/dbraw/zinc/53/83/69/1195538369.db2.gz HZDHOIVDBCYSFJ-KRWDZBQOSA-N 2 0 333.476 2.084 20 10 EECDRP CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210642 1198531979 /nfs/dbraw/zinc/53/19/79/1198531979.db2.gz MUCMRYDPZNZOFA-KRWDZBQOSA-N 2 0 330.501 2.249 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877746747 1200070508 /nfs/dbraw/zinc/07/05/08/1200070508.db2.gz WKMGSKSYDYPROS-UHFFFAOYSA-N 2 0 330.520 2.273 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnn4ccccc34)cc2)CC1 ZINC000796479341 1218914863 /nfs/dbraw/zinc/91/48/63/1218914863.db2.gz DUWLEPCQVMKWJU-UHFFFAOYSA-N 2 0 335.455 2.376 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC001222149344 1299388859 /nfs/dbraw/zinc/38/88/59/1299388859.db2.gz XUGKLPZAJPUPAD-OAQYLSRUSA-N 3 0 342.531 2.404 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c(OC)c1 ZINC001236074496 1305492406 /nfs/dbraw/zinc/49/24/06/1305492406.db2.gz YZORSJYFYDKBSO-LJQANCHMSA-N 2 0 346.519 2.149 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633465 1305619428 /nfs/dbraw/zinc/61/94/28/1305619428.db2.gz JJIXIVVEIHVFNG-UHFFFAOYSA-N 3 0 328.504 2.203 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[NH+](C)C)cc1 ZINC001122413957 1310277954 /nfs/dbraw/zinc/27/79/54/1310277954.db2.gz GZULDLCYFBRHRL-ZWKOTPCHSA-N 2 0 332.492 2.004 20 10 EECDRP COc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256758 1314722226 /nfs/dbraw/zinc/72/22/26/1314722226.db2.gz JQMURZGBUDRVPN-KRWDZBQOSA-N 2 0 333.476 2.133 20 10 EECDRP CC[N@@H+]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C(C)(C)C1 ZINC001139259687 1314722544 /nfs/dbraw/zinc/72/25/44/1314722544.db2.gz APAQUQCYLAEEBV-UHFFFAOYSA-N 2 0 335.492 2.379 20 10 EECDRP COc1cc(C[N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139260062 1314722662 /nfs/dbraw/zinc/72/26/62/1314722662.db2.gz LPJBJBKGUINZKG-ZBFHGGJFSA-N 2 0 332.444 2.263 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)C[C@@H](F)CS4)cc2)CC1 ZINC001139412861 1314741779 /nfs/dbraw/zinc/74/17/79/1314741779.db2.gz QHPPVENYWMWVIM-MRXNPFEDSA-N 2 0 335.492 2.468 20 10 EECDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077830 1315037511 /nfs/dbraw/zinc/03/75/11/1315037511.db2.gz BIVUVSLRMLUWDH-UHFFFAOYSA-N 2 0 342.531 2.065 20 10 EECDRP Fc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843125225 1315849402 /nfs/dbraw/zinc/84/94/02/1315849402.db2.gz OLOKCSYHOUJGNZ-MSOLQXFVSA-N 2 0 347.478 2.484 20 10 EECDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000843341042 1315894161 /nfs/dbraw/zinc/89/41/61/1315894161.db2.gz BSQKQXDOMYAKFZ-XMTFNYHQSA-N 2 0 329.488 2.499 20 10 EECDRP C[NH+](C)CCCN1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204322134 1322111789 /nfs/dbraw/zinc/11/17/89/1322111789.db2.gz OFSMDJFZRLFDAC-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204322669 1322112288 /nfs/dbraw/zinc/11/22/88/1322112288.db2.gz MCZZFFBWICTJJW-LEWJYISDSA-N 2 0 342.531 2.497 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1C[NH3+] ZINC001205627413 1323221084 /nfs/dbraw/zinc/22/10/84/1323221084.db2.gz PKGGOISRAFHVLX-CVEARBPZSA-N 2 0 335.467 2.469 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3CC[NH3+])cc2F)CC1 ZINC001326520184 1334108598 /nfs/dbraw/zinc/10/85/98/1334108598.db2.gz YBZWFMLMPKCIIB-QGZVFWFLSA-N 3 0 334.483 2.281 20 10 EECDRP NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2)C1 ZINC000817889515 785024032 /nfs/dbraw/zinc/02/40/32/785024032.db2.gz OJOQKZGGWOABTN-NEWSRXKRSA-N 2 0 344.503 2.138 20 10 EECDRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817944683 785093819 /nfs/dbraw/zinc/09/38/19/785093819.db2.gz JIZXXJXWUNGULL-CQSZACIVSA-N 2 0 342.281 2.101 20 10 EECDRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1C ZINC000997299602 789592747 /nfs/dbraw/zinc/59/27/47/789592747.db2.gz PXTNYQBMHSPXCV-QGZVFWFLSA-N 2 0 345.487 2.036 20 10 EECDRP C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1cc(F)ccc1O ZINC000273561308 464720400 /nfs/dbraw/zinc/72/04/00/464720400.db2.gz ICJMJSABPRZCFT-BBRMVZONSA-N 2 0 337.439 2.125 20 10 EECDRP Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771832668 577233335 /nfs/dbraw/zinc/23/33/35/577233335.db2.gz NPEDDHMRRYQLLE-KRWDZBQOSA-N 2 0 341.503 2.369 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3COC4(CCCC4)O3)cc2)CC1 ZINC000773414002 577340729 /nfs/dbraw/zinc/34/07/29/577340729.db2.gz IUCGUDUUVZAHPG-IBGZPJMESA-N 2 0 345.487 2.214 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)[NH+](C)C)cc1 ZINC000891253412 676249682 /nfs/dbraw/zinc/24/96/82/676249682.db2.gz SILJRADMKGWLCJ-GOSISDBHSA-N 2 0 334.508 2.203 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)cc1C ZINC000989798828 692331164 /nfs/dbraw/zinc/33/11/64/692331164.db2.gz GLJKYIJQPQODCL-AEFFLSMTSA-N 2 0 345.487 2.178 20 10 EECDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001128783489 1195538075 /nfs/dbraw/zinc/53/80/75/1195538075.db2.gz HZDHOIVDBCYSFJ-QGZVFWFLSA-N 2 0 333.476 2.084 20 10 EECDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000794806297 1198049523 /nfs/dbraw/zinc/04/95/23/1198049523.db2.gz HCDOEKCECKOWNW-NVXWUHKLSA-N 2 0 333.476 2.329 20 10 EECDRP COc1ccc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c(OC)c1 ZINC000873218977 1198534034 /nfs/dbraw/zinc/53/40/34/1198534034.db2.gz CFPALHYVNIKDJC-HOTGVXAUSA-N 2 0 333.476 2.214 20 10 EECDRP Cc1cccc(O)c1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000877076393 1199859016 /nfs/dbraw/zinc/85/90/16/1199859016.db2.gz MCSFXUJFGMARKX-UHFFFAOYSA-N 2 0 347.503 2.417 20 10 EECDRP COc1ccc(N2CCC([NH2+]C[C@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000903955667 1242706198 /nfs/dbraw/zinc/70/61/98/1242706198.db2.gz AAEBGFGJXFYNHZ-CQSZACIVSA-N 2 0 339.430 2.498 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@]3(C)CCO[C@@H]3C3CC3)cc2)CC1 ZINC000784688270 1304527773 /nfs/dbraw/zinc/52/77/73/1304527773.db2.gz UJJVMYYPXMHGHV-UXHICEINSA-N 2 0 329.488 2.486 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C[NH2+]CCO2 ZINC001235159946 1305131535 /nfs/dbraw/zinc/13/15/35/1305131535.db2.gz ZDSPAWKZFIPOKR-SFHVURJKSA-N 2 0 345.487 2.228 20 10 EECDRP COC(=O)CC[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CCCC1 ZINC001235689124 1305332157 /nfs/dbraw/zinc/33/21/57/1305332157.db2.gz AJCDLMKLGJVITP-UHFFFAOYSA-N 2 0 345.487 2.404 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1O ZINC001236931464 1305733275 /nfs/dbraw/zinc/73/32/75/1305733275.db2.gz KRWVMQWWWLQOJY-BEFAXECRSA-N 2 0 335.467 2.170 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC([NH+]4CCCCC4)C3)c(F)c2)CC1 ZINC001236942626 1305739806 /nfs/dbraw/zinc/73/98/06/1305739806.db2.gz KYTGGTZLTQTWAD-UHFFFAOYSA-N 2 0 346.494 2.248 20 10 EECDRP [NH3+]CCN(CC[NH3+])S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001239096950 1309028277 /nfs/dbraw/zinc/02/82/77/1309028277.db2.gz NLOHYDSGPSKTCD-FMQUCBEESA-N 2 0 347.444 2.010 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)cc(C[NH+](C)C)c1O ZINC001139258961 1314722604 /nfs/dbraw/zinc/72/26/04/1314722604.db2.gz CEYMAPWVZOARLI-IBGZPJMESA-N 2 0 348.443 2.134 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4CCCO[C@H]4C3)cc2)CC1 ZINC001139408996 1314740693 /nfs/dbraw/zinc/74/06/93/1314740693.db2.gz RRAMHMRUYQIADJ-QUCCMNQESA-N 2 0 329.488 2.439 20 10 EECDRP CC[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC001139411368 1314741004 /nfs/dbraw/zinc/74/10/04/1314741004.db2.gz IENVKBPXLKDYFT-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000840916776 1315435357 /nfs/dbraw/zinc/43/53/57/1315435357.db2.gz DMIVSXVPQRBFRB-FQEVSTJZSA-N 2 0 330.520 2.273 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@H]2CCC[NH2+]CC2)c1O ZINC000841057690 1315464953 /nfs/dbraw/zinc/46/49/53/1315464953.db2.gz LRHNHKZORYSMGB-LBPRGKRZSA-N 2 0 329.238 2.395 20 10 EECDRP [NH3+][C@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@H]1F ZINC001206164973 1323410689 /nfs/dbraw/zinc/41/06/89/1323410689.db2.gz LSOZAYPLEQWXSD-SJORKVTESA-N 2 0 333.451 2.352 20 10 EECDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834170 1337582356 /nfs/dbraw/zinc/58/23/56/1337582356.db2.gz KQNQZLURFBYSSZ-NUJGCVRESA-N 2 0 348.510 2.383 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000832282107 1372423746 /nfs/dbraw/zinc/42/37/46/1372423746.db2.gz YHULGZZGNGABLY-ROUUACIJSA-N 2 0 332.492 2.166 20 10 EECDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817893870 785048167 /nfs/dbraw/zinc/04/81/67/785048167.db2.gz JKFXSLHFUQZRPO-RDTXWAMCSA-N 2 0 335.467 2.265 20 10 EECDRP OCC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000817893885 785050983 /nfs/dbraw/zinc/05/09/83/785050983.db2.gz JUOKPGIXKCJGTD-DFNIBXOVSA-N 2 0 329.488 2.268 20 10 EECDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846139471 790072812 /nfs/dbraw/zinc/07/28/12/790072812.db2.gz NUICTEMOZFHMJV-MRXNPFEDSA-N 2 0 335.492 2.469 20 10 EECDRP Cc1nc([C@H]2CCC[NH2+]C2)cc(N2CCCc3ccc(C[NH3+])nc32)n1 ZINC001169584532 803889470 /nfs/dbraw/zinc/88/94/70/803889470.db2.gz TUPNTPZFNGTIBZ-HNNXBMFYSA-N 2 0 338.459 2.190 20 10 EECDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000771818417 577232465 /nfs/dbraw/zinc/23/24/65/577232465.db2.gz KDQFMKCMHHWJBB-LJQANCHMSA-N 3 0 330.520 2.258 20 10 EECDRP Cc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c(O)c1 ZINC001272767222 1193488552 /nfs/dbraw/zinc/48/85/52/1193488552.db2.gz YPSAPNWNEHYHKO-HXUWFJFHSA-N 2 0 345.487 2.219 20 10 EECDRP COc1cccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1O ZINC001275269929 1205295127 /nfs/dbraw/zinc/29/51/27/1205295127.db2.gz AHHVACCBGAZADE-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cc(F)ccc1O)C2 ZINC001275913122 1205583080 /nfs/dbraw/zinc/58/30/80/1205583080.db2.gz IJRADMSBXCQFED-IBGZPJMESA-N 2 0 335.467 2.381 20 10 EECDRP Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cc1 ZINC001218955914 1297881677 /nfs/dbraw/zinc/88/16/77/1297881677.db2.gz RDEOWDGOOYPPCP-IBGZPJMESA-N 2 0 338.455 2.129 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@@]4(C3)CCCC[NH2+]4)c(F)c2)CC1 ZINC001222434549 1299574631 /nfs/dbraw/zinc/57/46/31/1299574631.db2.gz JRGRJYCOOQNGTL-HXUWFJFHSA-N 2 0 346.494 2.296 20 10 EECDRP COC(=O)Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c(O)c1 ZINC001277421383 1302951665 /nfs/dbraw/zinc/95/16/65/1302951665.db2.gz VWSNQPORGRMFLI-UHFFFAOYSA-N 2 0 346.471 2.416 20 10 EECDRP c1csc([C@H]2C[NH2+]CCN2Cc2ccc(N3CC[NH2+]CC3)cc2)c1 ZINC001236117632 1305504892 /nfs/dbraw/zinc/50/48/92/1305504892.db2.gz ZERCUFYCQZMVTI-GOSISDBHSA-N 2 0 342.512 2.304 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC001236319936 1305559864 /nfs/dbraw/zinc/55/98/64/1305559864.db2.gz ICNWFTTUEIJSAV-BGYRXZFFSA-N 3 0 342.531 2.260 20 10 EECDRP C[N@@H+]1[C@@H]2CC[C@H]1CN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)CC2 ZINC001236941470 1305739393 /nfs/dbraw/zinc/73/93/93/1305739393.db2.gz BQRPPPSOGIUCEF-MJGOQNOKSA-N 2 0 346.494 2.246 20 10 EECDRP CN(CC[NH+]1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236940278 1305739608 /nfs/dbraw/zinc/73/96/08/1305739608.db2.gz YPOYXCDHTREDBI-UHFFFAOYSA-N 2 0 334.483 2.105 20 10 EECDRP CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001120629607 1309652365 /nfs/dbraw/zinc/65/23/65/1309652365.db2.gz IKWTYAVQAPWGDO-KRWDZBQOSA-N 2 0 349.523 2.172 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@](F)(CO)CC2)cc(C[NH+](C)C)c1O ZINC001139255689 1314722152 /nfs/dbraw/zinc/72/21/52/1314722152.db2.gz RMOVEYFMCUERQM-SFHVURJKSA-N 2 0 340.439 2.149 20 10 EECDRP CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410730 1314740644 /nfs/dbraw/zinc/74/06/44/1314740644.db2.gz AWZIMDAIVZWFJI-HXUWFJFHSA-N 2 0 330.520 2.353 20 10 EECDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCC2(C1)OCCO2 ZINC001139411204 1314740786 /nfs/dbraw/zinc/74/07/86/1314740786.db2.gz ZDRRWEAMUXLZIN-IBGZPJMESA-N 2 0 345.487 2.166 20 10 EECDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC2(C1)OCCO2 ZINC001139411205 1314741057 /nfs/dbraw/zinc/74/10/57/1314741057.db2.gz ZDRRWEAMUXLZIN-LJQANCHMSA-N 2 0 345.487 2.166 20 10 EECDRP COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC001139412115 1314741759 /nfs/dbraw/zinc/74/17/59/1314741759.db2.gz FWVXEAKEXJNJBJ-APWZRJJASA-N 2 0 345.487 2.212 20 10 EECDRP CCOC(=O)CC[N@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140304622 1314862073 /nfs/dbraw/zinc/86/20/73/1314862073.db2.gz WMOHWNGNHQCVSF-UHFFFAOYSA-N 2 0 333.476 2.214 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3C[C@H]4C[C@@]4(C[NH+](C)C)C3)cc2)CC1 ZINC001140306263 1314862960 /nfs/dbraw/zinc/86/29/60/1314862960.db2.gz QZDFFJPASAZULE-TZIWHRDSSA-N 2 0 342.531 2.212 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000841847121 1315621982 /nfs/dbraw/zinc/62/19/82/1315621982.db2.gz ZOUMEVBBDKWSBY-DRGBWMFJSA-N 2 0 344.503 2.022 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC001205009381 1322263786 /nfs/dbraw/zinc/26/37/86/1322263786.db2.gz PUONQCPRMCABNF-LJQANCHMSA-N 3 0 330.520 2.260 20 10 EECDRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205570085 1323201099 /nfs/dbraw/zinc/20/10/99/1323201099.db2.gz FIWNNHUUCISXST-SFHVURJKSA-N 2 0 339.430 2.315 20 10 EECDRP CN(Cc1nc2c(s1)C[NH2+]CC2)c1ccc(OCC[NH+](C)C)cc1 ZINC001578419262 1344277247 /nfs/dbraw/zinc/27/72/47/1344277247.db2.gz NVUVUUBFXGAHEJ-UHFFFAOYSA-N 2 0 346.500 2.366 20 10 EECDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809705021 783320098 /nfs/dbraw/zinc/32/00/98/783320098.db2.gz MAHKWRCTNKPUEE-WCRBZPEASA-N 3 0 342.531 2.495 20 10 EECDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(O)cccc1OC ZINC000809737371 783345911 /nfs/dbraw/zinc/34/59/11/783345911.db2.gz GRMDHRIZWKGAPC-INIZCTEOSA-N 2 0 335.492 2.249 20 10 EECDRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Br)cc1O ZINC000817936591 785081256 /nfs/dbraw/zinc/08/12/56/785081256.db2.gz PPMGDJLWVLJBCT-GFCCVEGCSA-N 2 0 342.281 2.101 20 10 EECDRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N2CCCCCC2)cc1 ZINC000817944709 785094487 /nfs/dbraw/zinc/09/44/87/785094487.db2.gz KBGOVESWGWTXDK-KRWDZBQOSA-N 2 0 344.503 2.149 20 10 EECDRP COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001172593053 797024076 /nfs/dbraw/zinc/02/40/76/797024076.db2.gz RWCNLAJIAYIBQJ-ZWKOTPCHSA-N 2 0 345.487 2.260 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1C ZINC001129840367 811013420 /nfs/dbraw/zinc/01/34/20/811013420.db2.gz FUPHQPRTTVLTPL-KRWDZBQOSA-N 2 0 333.476 2.084 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823464 577232823 /nfs/dbraw/zinc/23/28/23/577232823.db2.gz CWARXCJOVSBXBV-ICSRJNTNSA-N 3 0 328.504 2.155 20 10 EECDRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Br)ccc1O ZINC000774376246 577397239 /nfs/dbraw/zinc/39/72/39/577397239.db2.gz HGWJBGUKMXIJMY-NSHDSACASA-N 2 0 331.254 2.384 20 10 EECDRP CC(C)[N@@H+]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775637541 577441480 /nfs/dbraw/zinc/44/14/80/577441480.db2.gz QQTZAIPMIYHATA-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1C ZINC001020590350 675219356 /nfs/dbraw/zinc/21/93/56/675219356.db2.gz SZTZXXZPHTXERP-WBAXXEDZSA-N 2 0 345.487 2.082 20 10 EECDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894938758 683420651 /nfs/dbraw/zinc/42/06/51/683420651.db2.gz DTDCXVQYXPESAI-UHFFFAOYSA-N 2 0 335.492 2.215 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](OC)C3CC3)cc2F)CC1 ZINC000877012692 1199844231 /nfs/dbraw/zinc/84/42/31/1199844231.db2.gz YDFYGKCDPATHEH-IBGZPJMESA-N 2 0 335.467 2.482 20 10 EECDRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289322 1202041391 /nfs/dbraw/zinc/04/13/91/1202041391.db2.gz KYDWDBBWCWUMRP-OXJNMPFZSA-N 2 0 328.504 2.011 20 10 EECDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001276292119 1205871176 /nfs/dbraw/zinc/87/11/76/1205871176.db2.gz ZIZVZHGNCCYYEA-UHFFFAOYSA-N 2 0 331.504 2.369 20 10 EECDRP COc1ccc(C[NH2+]CC2CC(NC(=O)C[NH+]3CCCC3)C2)cc1C ZINC000962718591 1216019189 /nfs/dbraw/zinc/01/91/89/1216019189.db2.gz LJLKNDGPZOVEHD-UHFFFAOYSA-N 2 0 345.487 2.084 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([S@@](C)=O)C3)cc2)CC1 ZINC000850355768 1277196016 /nfs/dbraw/zinc/19/60/16/1277196016.db2.gz LIQGXAGODLKBQZ-YIGJPRQDSA-N 2 0 349.544 2.218 20 10 EECDRP C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(CC(=O)OC)cc3O)(C1)CCC2 ZINC001277421000 1302948565 /nfs/dbraw/zinc/94/85/65/1302948565.db2.gz LNFBQUPCWNAJEQ-RBUKOAKNSA-N 2 0 332.444 2.262 20 10 EECDRP COCC[N@@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cc(C)cc3O)CC[C@@H]2C1 ZINC001231844186 1303929159 /nfs/dbraw/zinc/92/91/59/1303929159.db2.gz FYEQNISLOFYBJH-YLJYHZDGSA-N 2 0 348.487 2.178 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[NH2+]C[C@H]3C(C)C)cc2)CC1 ZINC001235457705 1305240657 /nfs/dbraw/zinc/24/06/57/1305240657.db2.gz XWTMBAPIEQYPOC-FQEVSTJZSA-N 2 0 330.520 2.258 20 10 EECDRP CCCCC[NH+]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001235691450 1305333432 /nfs/dbraw/zinc/33/34/32/1305333432.db2.gz RPYTXJSXEPULPP-UHFFFAOYSA-N 2 0 330.520 2.404 20 10 EECDRP Oc1cc2c(cc1CN1CC[NH2+]C[C@@H]1c1cccs1)C[NH2+]CCO2 ZINC001236117336 1305505453 /nfs/dbraw/zinc/50/54/53/1305505453.db2.gz UCHWSBWAIRFJSD-OAHLLOKOSA-N 2 0 345.468 2.082 20 10 EECDRP COc1cc(C)c(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001236815043 1305687727 /nfs/dbraw/zinc/68/77/27/1305687727.db2.gz GXOOSHBDVBEUBL-UHFFFAOYSA-N 2 0 347.503 2.169 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139255660 1314722258 /nfs/dbraw/zinc/72/22/58/1314722258.db2.gz WWROAVPKEJQZOA-JLJPHGGASA-N 2 0 334.460 2.462 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000840932322 1315439779 /nfs/dbraw/zinc/43/97/79/1315439779.db2.gz PGCPKGVMFYTBGF-UHFFFAOYSA-N 2 0 332.536 2.424 20 10 EECDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000841076456 1315468777 /nfs/dbraw/zinc/46/87/77/1315468777.db2.gz YFLHUXJGBFDPIQ-JOUKPKRSSA-N 2 0 333.451 2.268 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1O ZINC000841084624 1315471052 /nfs/dbraw/zinc/47/10/52/1315471052.db2.gz MBXRMDSUKQQDOP-JOYOIKCWSA-N 2 0 329.238 2.380 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125761 1315849471 /nfs/dbraw/zinc/84/94/71/1315849471.db2.gz HKBCQFNHHQUEGU-OALUTQOASA-N 2 0 329.488 2.345 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CC23CCCC3)[NH+](C)C)cc1 ZINC001263260294 1322448974 /nfs/dbraw/zinc/44/89/74/1322448974.db2.gz WXEDMZUNKIADNP-ROUUACIJSA-N 2 0 344.503 2.004 20 10 EECDRP COc1ccc2ccc(O)c(C[N@@H+]3CCCC[C@@](O)(C[NH3+])C3)c2c1 ZINC001205726701 1323271153 /nfs/dbraw/zinc/27/11/53/1323271153.db2.gz WVMNAXKNAQSSSP-LJQANCHMSA-N 2 0 330.428 2.230 20 10 EECDRP CC[NH2+]CC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001326501834 1334105874 /nfs/dbraw/zinc/10/58/74/1334105874.db2.gz HWERZCWAWTUQLL-UHFFFAOYSA-N 2 0 348.510 2.399 20 10 EECDRP CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cc2F)CC1 ZINC001326796265 1334160800 /nfs/dbraw/zinc/16/08/00/1334160800.db2.gz FKUZRYBBMYJHIN-KRWDZBQOSA-N 2 0 348.510 2.399 20 10 EECDRP Cc1ccc(NCC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nc1 ZINC000922927104 788345520 /nfs/dbraw/zinc/34/55/20/788345520.db2.gz BVEIGMKAXKFARG-UHFFFAOYSA-N 2 0 339.487 2.344 20 10 EECDRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)cc1C ZINC000999834693 795035710 /nfs/dbraw/zinc/03/57/10/795035710.db2.gz VBAVLYISDYGAFJ-UHFFFAOYSA-N 2 0 345.487 2.178 20 10 EECDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000771844284 577233925 /nfs/dbraw/zinc/23/39/25/577233925.db2.gz YBUVGTFIKRAGBG-XLIONFOSSA-N 3 0 330.520 2.258 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736285 577444243 /nfs/dbraw/zinc/44/42/43/577444243.db2.gz BKBBUJZUIMNAMC-RBUKOAKNSA-N 2 0 347.528 2.145 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)[C@H](O)CO2 ZINC000768462932 577556304 /nfs/dbraw/zinc/55/63/04/577556304.db2.gz OXCJZSXEOMLWJD-OMWUSAIZSA-N 2 0 344.455 2.267 20 10 EECDRP C[N@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2CC1 ZINC001275174518 1205275156 /nfs/dbraw/zinc/27/51/56/1205275156.db2.gz WREUGHSJKRYKSC-KDURUIRLSA-N 2 0 343.515 2.421 20 10 EECDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001019032178 1228656161 /nfs/dbraw/zinc/65/61/61/1228656161.db2.gz KDFDTFODQMYDBT-DLBZAZTESA-N 2 0 333.476 2.034 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000850406910 1277216831 /nfs/dbraw/zinc/21/68/31/1277216831.db2.gz YRISBHZRDIQSHV-PKOBYXMFSA-N 2 0 329.488 2.364 20 10 EECDRP c1ccc2c(c1)CN(Cc1ccc(N3CC[NH2+]CC3)cc1)[C@H]1C[NH2+]C[C@@H]21 ZINC001222563111 1299684736 /nfs/dbraw/zinc/68/47/36/1299684736.db2.gz HLSBXHLGJRABDV-VXKWHMMOSA-N 2 0 348.494 2.167 20 10 EECDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)c(O)cc1O ZINC001232267791 1304059414 /nfs/dbraw/zinc/05/94/14/1304059414.db2.gz MAABXIBDAPVBMD-UHFFFAOYSA-N 2 0 343.899 2.457 20 10 EECDRP c1ccc([C@@H]2C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CCN2)cc1 ZINC001235852460 1305424393 /nfs/dbraw/zinc/42/43/93/1305424393.db2.gz DZQWUUSKTNIQLK-NRFANRHFSA-N 2 0 336.483 2.243 20 10 EECDRP CCOC(=O)[C@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)CCC12C[NH2+]C2 ZINC001237431250 1305930060 /nfs/dbraw/zinc/93/00/60/1305930060.db2.gz PTBKJISIFGAQQV-QGZVFWFLSA-N 2 0 345.487 2.036 20 10 EECDRP CCCN(CC(=O)OCC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139259391 1314722490 /nfs/dbraw/zinc/72/24/90/1314722490.db2.gz UOQARWPDBAPYDT-UHFFFAOYSA-N 2 0 338.448 2.238 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCOC4)C3)cc2)CC1 ZINC001139408022 1314740189 /nfs/dbraw/zinc/74/01/89/1314740189.db2.gz IPPSDDPPAJUCEW-FQEVSTJZSA-N 2 0 329.488 2.441 20 10 EECDRP COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139409660 1314740597 /nfs/dbraw/zinc/74/05/97/1314740597.db2.gz OZRMHMUURIIWNY-AEFFLSMTSA-N 2 0 345.487 2.212 20 10 EECDRP COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412057 1314741749 /nfs/dbraw/zinc/74/17/49/1314741749.db2.gz BXTRKIGKYHLTMM-FUHWJXTLSA-N 2 0 345.487 2.069 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001140300885 1314859228 /nfs/dbraw/zinc/85/92/28/1314859228.db2.gz VVKNCVZHWAFPLK-GOSISDBHSA-N 2 0 345.487 2.214 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@H](O)CC3)cc2)CC1 ZINC001140301967 1314860585 /nfs/dbraw/zinc/86/05/85/1314860585.db2.gz FZEYXCBFLOOYNX-YLJYHZDGSA-N 2 0 331.504 2.421 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1O ZINC000841080831 1315469783 /nfs/dbraw/zinc/46/97/83/1315469783.db2.gz WEOFNWXQLAUUDL-ZDUSSCGKSA-N 2 0 341.249 2.395 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001159860670 1320007318 /nfs/dbraw/zinc/00/73/18/1320007318.db2.gz BHASWVJOJBKLIX-UHFFFAOYSA-N 2 0 333.476 2.084 20 10 EECDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205726490 1323270854 /nfs/dbraw/zinc/27/08/54/1323270854.db2.gz SSMSNCPXOFWTAT-HNNXBMFYSA-N 2 0 348.365 2.009 20 10 EECDRP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001323828983 1333549142 /nfs/dbraw/zinc/54/91/42/1333549142.db2.gz FQODCFHNRDLMNJ-BZUAXINKSA-N 2 0 345.487 2.426 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC001341512373 1337294386 /nfs/dbraw/zinc/29/43/86/1337294386.db2.gz ANJWVZOULMPDLP-WMZOPIPTSA-N 2 0 332.492 2.004 20 10 EECDRP C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[NH+]1CCCCCC1 ZINC000832274389 1372422260 /nfs/dbraw/zinc/42/22/60/1372422260.db2.gz SVCODSSUYQFIPZ-QAPCUYQASA-N 2 0 332.492 2.133 20 10 EECDRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832280530 1372423782 /nfs/dbraw/zinc/42/37/82/1372423782.db2.gz PBULEURKWLXEMS-ACJLOTCBSA-N 2 0 326.444 2.202 20 10 EECDRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817944682 785094337 /nfs/dbraw/zinc/09/43/37/785094337.db2.gz JIZXXJXWUNGULL-AWEZNQCLSA-N 2 0 342.281 2.101 20 10 EECDRP CCOCc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1OC ZINC000171767758 791467971 /nfs/dbraw/zinc/46/79/71/791467971.db2.gz VXAFTYUTJKJWRO-UHFFFAOYSA-N 2 0 349.519 2.349 20 10 EECDRP COCCOC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775689658 577442984 /nfs/dbraw/zinc/44/29/84/577442984.db2.gz FRCTZBNJFOUHJM-UHFFFAOYSA-N 2 0 347.503 2.066 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000763332801 577719341 /nfs/dbraw/zinc/71/93/41/577719341.db2.gz GMMNVFNHOMWGOR-FUHWJXTLSA-N 2 0 347.503 2.167 20 10 EECDRP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1C ZINC000756551662 577846480 /nfs/dbraw/zinc/84/64/80/577846480.db2.gz WGTFNFMBFITLCR-JKSUJKDBSA-N 2 0 333.476 2.247 20 10 EECDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(=O)[nH]1 ZINC000897392366 688758196 /nfs/dbraw/zinc/75/81/96/688758196.db2.gz YZGSASPSSVZXDZ-UHFFFAOYSA-N 2 0 326.444 2.171 20 10 EECDRP Oc1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1O ZINC000397505333 1176667021 /nfs/dbraw/zinc/66/70/21/1176667021.db2.gz FGGCVJDDFCBVIC-UHFFFAOYSA-N 2 0 342.439 2.215 20 10 EECDRP COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1Cn1cccn1 ZINC000873044547 1198483279 /nfs/dbraw/zinc/48/32/79/1198483279.db2.gz QPSGQYDVKBDSQI-UHFFFAOYSA-N 2 0 328.460 2.371 20 10 EECDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000925715500 1206145698 /nfs/dbraw/zinc/14/56/98/1206145698.db2.gz IPTXFFJQXMVMAN-HLVUACMISA-N 2 0 329.488 2.253 20 10 EECDRP CN(C)c1ccc(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)c2ccccc21 ZINC001222085517 1299334827 /nfs/dbraw/zinc/33/48/27/1299334827.db2.gz AUZJNUFHHKWSSZ-UHFFFAOYSA-N 2 0 338.499 2.433 20 10 EECDRP COc1cc(C[NH+]2CCC(F)(C[NH3+])CC2)c(O)cc1Br ZINC001222548547 1299674887 /nfs/dbraw/zinc/67/48/87/1299674887.db2.gz QUMKGPPZRGVZBK-UHFFFAOYSA-N 2 0 347.228 2.426 20 10 EECDRP C[NH+](C)CCN1CC[N@H+](Cc2c(O)ccc3ccccc32)CCC1=O ZINC001231591105 1303857950 /nfs/dbraw/zinc/85/79/50/1303857950.db2.gz SZJNVXHZJHJFJJ-UHFFFAOYSA-N 2 0 341.455 2.141 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)c(F)c2)CC1 ZINC001236935157 1305736927 /nfs/dbraw/zinc/73/69/27/1305736927.db2.gz FPTKSRWTJSKKAJ-SJORKVTESA-N 2 0 333.451 2.046 20 10 EECDRP CC[N@H+](CCn1ccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139411015 1314741175 /nfs/dbraw/zinc/74/11/75/1314741175.db2.gz QFZFEXXWLFGAJQ-UHFFFAOYSA-N 2 0 327.476 2.157 20 10 EECDRP COc1cc(Br)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1O ZINC000841037553 1315459847 /nfs/dbraw/zinc/45/98/47/1315459847.db2.gz VKVFKSPIUXTCAM-JTQLQIEISA-N 2 0 329.238 2.253 20 10 EECDRP CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001254083354 1317998460 /nfs/dbraw/zinc/99/84/60/1317998460.db2.gz VYMORSZOJJOLMD-UXHICEINSA-N 2 0 330.520 2.401 20 10 EECDRP COc1ccc(N2CCN([C@H]3CCC[N@H+](C)CC3)CC2)c(OC)c1 ZINC001254531244 1318108296 /nfs/dbraw/zinc/10/82/96/1318108296.db2.gz JFQLWTYKRZJVAV-INIZCTEOSA-N 2 0 333.476 2.310 20 10 EECDRP COCC[N@@H+](Cc1c(C)cc(OC)cc1O)CC1CC[NH+](C)CC1 ZINC001308895935 1331608053 /nfs/dbraw/zinc/60/80/53/1331608053.db2.gz XDFLCPITZUSSSK-UHFFFAOYSA-N 2 0 336.476 2.499 20 10 EECDRP CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326187485 1334039470 /nfs/dbraw/zinc/03/94/70/1334039470.db2.gz GWFDNXKFSBYCMT-NVXWUHKLSA-N 2 0 337.483 2.464 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)C2)cc1C ZINC001752733649 1406367470 /nfs/dbraw/zinc/36/74/70/1406367470.db2.gz VSJZQHGJDISMKS-CALCHBBNSA-N 2 0 345.487 2.225 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cc2)CC1 ZINC000809767571 783338985 /nfs/dbraw/zinc/33/89/85/783338985.db2.gz ONCAQXZWFDZUSO-CTNGQTDRSA-N 3 0 342.531 2.355 20 10 EECDRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000817974031 785125525 /nfs/dbraw/zinc/12/55/25/785125525.db2.gz XKSDCTBOOIPGIE-CZUORRHYSA-N 2 0 344.425 2.239 20 10 EECDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000825275417 788566207 /nfs/dbraw/zinc/56/62/07/788566207.db2.gz LRFCCFDORRAAIU-UHFFFAOYSA-N 2 0 336.499 2.397 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1C ZINC001176857748 798624056 /nfs/dbraw/zinc/62/40/56/798624056.db2.gz ZZBIYFOMYYQJTJ-IAGOWNOFSA-N 2 0 347.503 2.472 20 10 EECDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)CC1 ZINC000293093249 464386932 /nfs/dbraw/zinc/38/69/32/464386932.db2.gz NIQIFTNABJNFCY-IBGZPJMESA-N 2 0 330.520 2.273 20 10 EECDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](O)C(F)(F)F ZINC000771868297 577235263 /nfs/dbraw/zinc/23/52/63/577235263.db2.gz JWPJFWHPNXLYLC-CVEARBPZSA-N 2 0 345.409 2.230 20 10 EECDRP CCCNC(=O)C[N@H+](CCC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775659264 577441970 /nfs/dbraw/zinc/44/19/70/577441970.db2.gz ZRODGCTYPANOBX-UHFFFAOYSA-N 2 0 346.519 2.177 20 10 EECDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000128067420 693144235 /nfs/dbraw/zinc/14/42/35/693144235.db2.gz JLGFAKCAABLLJK-PKOBYXMFSA-N 2 0 346.519 2.381 20 10 EECDRP COc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c(OC)c1 ZINC000873218981 1198533881 /nfs/dbraw/zinc/53/38/81/1198533881.db2.gz CFPALHYVNIKDJC-JKSUJKDBSA-N 2 0 333.476 2.214 20 10 EECDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000883289653 1202041424 /nfs/dbraw/zinc/04/14/24/1202041424.db2.gz WFKPRJBGBWLQMJ-QGZVFWFLSA-N 3 0 330.520 2.258 20 10 EECDRP C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850027789 1277000429 /nfs/dbraw/zinc/00/04/29/1277000429.db2.gz INJXQPDKZIJTLH-SFHVURJKSA-N 2 0 330.520 2.402 20 10 EECDRP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216225554 1297112400 /nfs/dbraw/zinc/11/24/00/1297112400.db2.gz GRWJJHITOBRGIN-SJLPKXTDSA-N 2 0 347.503 2.282 20 10 EECDRP Nc1ccc2c(c1)CC[N@@H+](Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001236104790 1305502513 /nfs/dbraw/zinc/50/25/13/1305502513.db2.gz AQXWLAJOLYRBRC-UHFFFAOYSA-N 2 0 325.412 2.015 20 10 EECDRP CC[NH+](CC)CCN1CC[NH+](Cc2c(C)cc(OC)cc2O)CC1 ZINC001236812693 1305688303 /nfs/dbraw/zinc/68/83/03/1305688303.db2.gz AQQHCDVWWCVDQI-UHFFFAOYSA-N 2 0 335.492 2.169 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](C4CCC4)CC3)c(F)c2)CC1 ZINC001236932510 1305735765 /nfs/dbraw/zinc/73/57/65/1305735765.db2.gz QICNUYIVZURAJY-UHFFFAOYSA-N 2 0 346.494 2.248 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCO)C3)c(F)c2)CC1 ZINC001236938312 1305738916 /nfs/dbraw/zinc/73/89/16/1305738916.db2.gz LQZVWILHRPWVHM-INIZCTEOSA-N 2 0 335.467 2.172 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc(C[NH+](C)C)c1O ZINC001139259148 1314722961 /nfs/dbraw/zinc/72/29/61/1314722961.db2.gz JUIJSQYCVBEMBK-LJQANCHMSA-N 2 0 334.460 2.465 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4C(=O)CCC[C@@H]4C3)cc2)CC1 ZINC001139411223 1314741142 /nfs/dbraw/zinc/74/11/42/1314741142.db2.gz AJOXRLVWOZCYIX-MJGOQNOKSA-N 2 0 327.472 2.239 20 10 EECDRP Oc1cc(OCc2ccccc2)ccc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841086118 1315471789 /nfs/dbraw/zinc/47/17/89/1315471789.db2.gz MPRQCYXJDKVZQV-IBGZPJMESA-N 2 0 342.439 2.439 20 10 EECDRP C[NH2+]CCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000843057395 1315831675 /nfs/dbraw/zinc/83/16/75/1315831675.db2.gz KANGEYFCABXGLC-UHFFFAOYSA-N 2 0 330.520 2.260 20 10 EECDRP Oc1ccccc1C[NH+]1CCC(N[C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254842969 1318202568 /nfs/dbraw/zinc/20/25/68/1318202568.db2.gz CUANNDMOFZGVHQ-IBGZPJMESA-N 2 0 329.488 2.431 20 10 EECDRP Cc1c(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c2ccccc2n1C ZINC001276557113 1324325203 /nfs/dbraw/zinc/32/52/03/1324325203.db2.gz VGZAOPOCTWCNIY-UHFFFAOYSA-N 2 0 326.488 2.308 20 10 EECDRP COCCO[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001321323788 1333075187 /nfs/dbraw/zinc/07/51/87/1333075187.db2.gz GKYDOMXXMNQGSV-FQEVSTJZSA-N 2 0 347.503 2.066 20 10 EECDRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001330983225 1334940873 /nfs/dbraw/zinc/94/08/73/1334940873.db2.gz OPFJZNWVPSMVED-GOSISDBHSA-N 2 0 346.519 2.064 20 10 EECDRP CCOc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(O)c1 ZINC000809736756 783346080 /nfs/dbraw/zinc/34/60/80/783346080.db2.gz ILNDWYLXMFLCSJ-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP COc1ccc(N2CCC([NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CC2)cc1 ZINC000817903966 785058759 /nfs/dbraw/zinc/05/87/59/785058759.db2.gz YKARQWVEEZRJEG-ZOCIIQOWSA-N 2 0 333.476 2.006 20 10 EECDRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1O ZINC000817974137 785125535 /nfs/dbraw/zinc/12/55/35/785125535.db2.gz ZHCZDBAANRELSA-HZMBPMFUSA-N 2 0 335.345 2.018 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)c3ccc(F)cc3)cc2)CC1 ZINC000824554858 788214469 /nfs/dbraw/zinc/21/44/69/788214469.db2.gz OAANHQYWGHJHHN-FQEVSTJZSA-N 2 0 343.446 2.401 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC000998731248 793316999 /nfs/dbraw/zinc/31/69/99/793316999.db2.gz MNUVUCUTACSSOD-MSOLQXFVSA-N 2 0 345.487 2.178 20 10 EECDRP CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Br)ccc1O ZINC000702587166 1196021048 /nfs/dbraw/zinc/02/10/48/1196021048.db2.gz LUHCARNIEQKYEY-DZGCQCFKSA-N 2 0 343.265 2.262 20 10 EECDRP Cc1cccc(O)c1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000877004046 1199841713 /nfs/dbraw/zinc/84/17/13/1199841713.db2.gz GBSTTYLRSVKZSN-UHFFFAOYSA-N 2 0 341.455 2.282 20 10 EECDRP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3cccc(C)c3O)C[C@H]2CC1 ZINC001276079594 1205763300 /nfs/dbraw/zinc/76/33/00/1205763300.db2.gz AZVAGXTWUCUHMJ-HDICACEKSA-N 2 0 348.487 2.465 20 10 EECDRP COC1CCN(c2ccc(CN3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)cc2)CC1 ZINC000931276690 1297128647 /nfs/dbraw/zinc/12/86/47/1297128647.db2.gz BQAKDVVCOSYJPQ-PMOLBWCYSA-N 2 0 329.488 2.294 20 10 EECDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CC[NH+](C)CC1 ZINC001236933077 1305735033 /nfs/dbraw/zinc/73/50/33/1305735033.db2.gz UOVHENLXCQBOMC-UHFFFAOYSA-N 2 0 334.483 2.104 20 10 EECDRP C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236940402 1305738872 /nfs/dbraw/zinc/73/88/72/1305738872.db2.gz PVGCKXWLVISEPI-SFHVURJKSA-N 2 0 334.483 2.104 20 10 EECDRP COc1cc(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393028 1305916646 /nfs/dbraw/zinc/91/66/46/1305916646.db2.gz QIRVVQWUABQFSP-DOTOQJQBSA-N 2 0 333.476 2.036 20 10 EECDRP CN1CCN(c2ccc(C[N@H+](C)C3CCC([NH3+])CC3)cc2F)CC1 ZINC001118241425 1306323459 /nfs/dbraw/zinc/32/34/59/1306323459.db2.gz FSBDQWJZZCKZBS-UHFFFAOYSA-N 2 0 334.483 2.279 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205558869 1323194781 /nfs/dbraw/zinc/19/47/81/1323194781.db2.gz KQXONKJFVOTMNB-FQEVSTJZSA-N 3 0 348.510 2.481 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1C[NH3+] ZINC001205651420 1323229902 /nfs/dbraw/zinc/22/99/02/1323229902.db2.gz DZJDRJCUYNNTRN-SJORKVTESA-N 3 0 348.510 2.384 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206003156 1323366827 /nfs/dbraw/zinc/36/68/27/1323366827.db2.gz FMKJYNQBEACAAP-HOTGVXAUSA-N 2 0 335.467 2.469 20 10 EECDRP CN1CCCc2cc(C[N@H+]3[C@@H]4CC[C@H]3CN(CC[NH+](C)C)C4)ccc21 ZINC001276580608 1324632687 /nfs/dbraw/zinc/63/26/87/1324632687.db2.gz MWVZGLSDJSAGOS-BGYRXZFFSA-N 2 0 342.531 2.279 20 10 EECDRP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC001331062278 1334956043 /nfs/dbraw/zinc/95/60/43/1334956043.db2.gz RAXKDLYKTLRJOP-CYBMUJFWSA-N 2 0 327.384 2.227 20 10 EECDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817888815 785024212 /nfs/dbraw/zinc/02/42/12/785024212.db2.gz PBXKMEFHSTYOTN-BMGDILEWSA-N 2 0 335.517 2.082 20 10 EECDRP Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1O ZINC000817944977 785094706 /nfs/dbraw/zinc/09/47/06/785094706.db2.gz QOWSGTLXOBPSFP-LBPRGKRZSA-N 2 0 342.281 2.019 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000844162992 788906526 /nfs/dbraw/zinc/90/65/26/788906526.db2.gz QSVATUQNHGSBKK-MRXNPFEDSA-N 2 0 346.500 2.306 20 10 EECDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921686386 794831066 /nfs/dbraw/zinc/83/10/66/794831066.db2.gz RYGZGFMWFQSVEY-KRWDZBQOSA-N 2 0 331.504 2.375 20 10 EECDRP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000788593151 807598224 /nfs/dbraw/zinc/59/82/24/807598224.db2.gz FJQLBQOEKGADHQ-HZPDHXFCSA-N 2 0 333.476 2.247 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1C ZINC001130190021 811283849 /nfs/dbraw/zinc/28/38/49/811283849.db2.gz VHVMQSNBQUHKSB-ZWKOTPCHSA-N 2 0 345.487 2.226 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000763332805 577719285 /nfs/dbraw/zinc/71/92/85/577719285.db2.gz GMMNVFNHOMWGOR-SJLPKXTDSA-N 2 0 347.503 2.167 20 10 EECDRP Cc1ccc(O)c(C[N@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001272622797 1190936496 /nfs/dbraw/zinc/93/64/96/1190936496.db2.gz RMIIKCHRCVQQOX-HXUWFJFHSA-N 2 0 345.487 2.219 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC001134758962 1199795281 /nfs/dbraw/zinc/79/52/81/1199795281.db2.gz DAWTWJMUACRLTD-KRWDZBQOSA-N 2 0 347.503 2.474 20 10 EECDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)CC1 ZINC000925777388 1206153006 /nfs/dbraw/zinc/15/30/06/1206153006.db2.gz NQQIYZHGRJRTOE-RTBURBONSA-N 2 0 344.503 2.138 20 10 EECDRP NC(=O)C1CCN(c2ccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])cc2)CC1 ZINC000925777385 1206153241 /nfs/dbraw/zinc/15/32/41/1206153241.db2.gz NQQIYZHGRJRTOE-MOPGFXCFSA-N 2 0 344.503 2.138 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1C ZINC000969099752 1221807510 /nfs/dbraw/zinc/80/75/10/1221807510.db2.gz SRHCMTFHKZVZMU-MSOLQXFVSA-N 2 0 345.487 2.178 20 10 EECDRP CC(C)CN(Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477829 1305586190 /nfs/dbraw/zinc/58/61/90/1305586190.db2.gz OTTYJDLNEILGCB-HXUWFJFHSA-N 2 0 330.520 2.306 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@H]1O ZINC001236930648 1305733801 /nfs/dbraw/zinc/73/38/01/1305733801.db2.gz DXMJUJAUCNRSMD-KXBFYZLASA-N 2 0 335.467 2.170 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@]1(C)CO ZINC001118667688 1308917976 /nfs/dbraw/zinc/91/79/76/1308917976.db2.gz FFIVEMNYKYFHSU-KXBFYZLASA-N 2 0 335.467 2.028 20 10 EECDRP COc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(OC)c1 ZINC001141029656 1315021021 /nfs/dbraw/zinc/02/10/21/1315021021.db2.gz YPZPPCRLIVHKGN-CQSZACIVSA-N 2 0 330.384 2.458 20 10 EECDRP Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c(O)c1 ZINC000840829957 1315418996 /nfs/dbraw/zinc/41/89/96/1315418996.db2.gz AADADYAZFQJHKG-QGZVFWFLSA-N 2 0 347.503 2.148 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843121239 1315848147 /nfs/dbraw/zinc/84/81/47/1315848147.db2.gz HCRFHUXXMFFFKW-KRWDZBQOSA-N 2 0 334.483 2.151 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC4CCN(CC4)C3)cc2)CC1 ZINC001254836352 1318201590 /nfs/dbraw/zinc/20/15/90/1318201590.db2.gz LEZGVXYHOOHDDO-IBGZPJMESA-N 2 0 328.504 2.012 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(OC)c1 ZINC001205672257 1323239608 /nfs/dbraw/zinc/23/96/08/1323239608.db2.gz HHUSHHZJIISAKF-IBGZPJMESA-N 2 0 335.492 2.217 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311934 1323452544 /nfs/dbraw/zinc/45/25/44/1323452544.db2.gz WZUGXSPNEDVNRJ-FQEVSTJZSA-N 3 0 330.520 2.389 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[NH+](C)C)cc1 ZINC001341512372 1337294558 /nfs/dbraw/zinc/29/45/58/1337294558.db2.gz ANJWVZOULMPDLP-FUHWJXTLSA-N 2 0 332.492 2.004 20 10 EECDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000848722288 1338748323 /nfs/dbraw/zinc/74/83/23/1338748323.db2.gz MPHDXMXIMWOQGR-ZIAGYGMSSA-N 2 0 325.403 2.161 20 10 EECDRP Cn1cc(Cl)c(CNCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000824758582 788303514 /nfs/dbraw/zinc/30/35/14/788303514.db2.gz YGKQHJJOHGUZMK-UHFFFAOYSA-N 2 0 333.867 2.115 20 10 EECDRP Cc1ccc(O)c(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1 ZINC000123877402 463375887 /nfs/dbraw/zinc/37/58/87/463375887.db2.gz OYIAXTBQKOPLEL-UHFFFAOYSA-N 2 0 341.455 2.282 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000767717736 577543524 /nfs/dbraw/zinc/54/35/24/577543524.db2.gz NCOWTZLBKIGOBB-HXUWFJFHSA-N 2 0 343.446 2.401 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)CC1 ZINC000883290285 1202041452 /nfs/dbraw/zinc/04/14/52/1202041452.db2.gz QIYLATNAAGRFPF-IBGZPJMESA-N 2 0 329.488 2.487 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@H]3CC[NH2+]C3(C)C)cc2F)CC1 ZINC000925556542 1206127400 /nfs/dbraw/zinc/12/74/00/1206127400.db2.gz JZSHCXLFPDWIPJ-SFHVURJKSA-N 2 0 334.483 2.198 20 10 EECDRP C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000850027788 1277000912 /nfs/dbraw/zinc/00/09/12/1277000912.db2.gz INJXQPDKZIJTLH-GOSISDBHSA-N 2 0 330.520 2.402 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001235114838 1305118710 /nfs/dbraw/zinc/11/87/10/1305118710.db2.gz GOMGOEWMPHJYNJ-FQEVSTJZSA-N 2 0 328.504 2.156 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237404648 1305922185 /nfs/dbraw/zinc/92/21/85/1305922185.db2.gz OHKVMLOMIDZYKY-PZJWPPBQSA-N 3 0 342.531 2.402 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253129 1314721296 /nfs/dbraw/zinc/72/12/96/1314721296.db2.gz MYZCMLMDSBVFHO-IFXJQAMLSA-N 2 0 336.476 2.445 20 10 EECDRP COc1cc(CN2CC[C@H]([N@H+](C)C3CC3)C2)cc(C[NH+](C)C)c1O ZINC001139259084 1314723027 /nfs/dbraw/zinc/72/30/27/1314723027.db2.gz HNUAPDYCUBWKNV-KRWDZBQOSA-N 2 0 333.476 2.131 20 10 EECDRP COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412059 1314741657 /nfs/dbraw/zinc/74/16/57/1314741657.db2.gz BXTRKIGKYHLTMM-SJLPKXTDSA-N 2 0 345.487 2.069 20 10 EECDRP CCOc1cccc(C[NH+]2CCN(CC[NH+](CC)CC)CC2)c1O ZINC001203602271 1321920780 /nfs/dbraw/zinc/92/07/80/1321920780.db2.gz MACBRXMJFQGGTO-UHFFFAOYSA-N 2 0 335.492 2.250 20 10 EECDRP CN1CCCc2cc(C[N@@H+]3C[C@@H]4C[C@H]3CN(CC[NH+](C)C)C4)ccc21 ZINC001276580603 1324632449 /nfs/dbraw/zinc/63/24/49/1324632449.db2.gz MPOKOLYOQGENEC-QUCCMNQESA-N 2 0 342.531 2.137 20 10 EECDRP CC[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)[NH+](CC)CC ZINC000893608075 774771697 /nfs/dbraw/zinc/77/16/97/774771697.db2.gz OURMOALSOAYPKZ-LJQANCHMSA-N 2 0 346.519 2.175 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@@H](C)[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC000817902640 785054442 /nfs/dbraw/zinc/05/44/42/785054442.db2.gz VUMVPHPWUOEZBY-YJBOKZPZSA-N 2 0 334.483 2.198 20 10 EECDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939737 785086672 /nfs/dbraw/zinc/08/66/72/785086672.db2.gz BJNBXUWCHHGAHO-BEVDRBHNSA-N 2 0 326.488 2.301 20 10 EECDRP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940419 785087077 /nfs/dbraw/zinc/08/70/77/785087077.db2.gz GTLTXWOSPKMKER-ORAYPTAESA-N 2 0 327.476 2.265 20 10 EECDRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1O ZINC000817982057 785132157 /nfs/dbraw/zinc/13/21/57/785132157.db2.gz PIJBXBZMFIBQSB-ZYHUDNBSSA-N 2 0 329.238 2.184 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](C[NH3+])C2CCCCCC2)cc1 ZINC000911667740 787612306 /nfs/dbraw/zinc/61/23/06/787612306.db2.gz ROWDQUCWXHEHBL-RTBURBONSA-N 2 0 346.519 2.414 20 10 EECDRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825040620 788411177 /nfs/dbraw/zinc/41/11/77/788411177.db2.gz PYVSOOAXKHXRTO-MOPGFXCFSA-N 2 0 345.487 2.260 20 10 EECDRP Cc1cc(O)c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000825096537 788439263 /nfs/dbraw/zinc/43/92/63/788439263.db2.gz GQOZSDDVIOOGDS-UHFFFAOYSA-N 2 0 325.884 2.470 20 10 EECDRP C[C@H](CO)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000846058153 790029846 /nfs/dbraw/zinc/02/98/46/790029846.db2.gz LYHOOFNYGGHITC-QGZVFWFLSA-N 2 0 331.504 2.279 20 10 EECDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(OC)ccc1O ZINC000289519434 464082363 /nfs/dbraw/zinc/08/23/63/464082363.db2.gz VFTHCTFSFMPKDK-KRWDZBQOSA-N 2 0 335.492 2.249 20 10 EECDRP COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000368329914 466597583 /nfs/dbraw/zinc/59/75/83/466597583.db2.gz UTTPDSNIMBMKBI-CABCVRRESA-N 2 0 333.476 2.220 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](n4ccnc4)C3)cc2)CC1 ZINC000775674443 577442411 /nfs/dbraw/zinc/44/24/11/577442411.db2.gz BGUSYVVCNUWOFS-FQEVSTJZSA-N 2 0 339.487 2.472 20 10 EECDRP CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000924994890 682335098 /nfs/dbraw/zinc/33/50/98/682335098.db2.gz BJWXITZILFGEIF-WMZOPIPTSA-N 2 0 335.467 2.482 20 10 EECDRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883290632 1202041238 /nfs/dbraw/zinc/04/12/38/1202041238.db2.gz AQLAABCNNZHVOD-OAHLLOKOSA-N 2 0 325.460 2.388 20 10 EECDRP Cc1ccc(C)c(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c1O ZINC001275968944 1205608292 /nfs/dbraw/zinc/60/82/92/1205608292.db2.gz UCRXGTUYSKNEKB-UHFFFAOYSA-N 2 0 331.504 2.468 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@@H]3CCC[NH2+][C@@H]3C)cc2F)CC1 ZINC000925560060 1206127957 /nfs/dbraw/zinc/12/79/57/1206127957.db2.gz WLBHKWPUQAZISX-CRAIPNDOSA-N 2 0 334.483 2.198 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000925761086 1206151310 /nfs/dbraw/zinc/15/13/10/1206151310.db2.gz ADSLZHWZKVENQV-PWRODBHTSA-N 3 0 342.531 2.449 20 10 EECDRP CC[C@@]1(CO)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779217134 1209393768 /nfs/dbraw/zinc/39/37/68/1209393768.db2.gz MMBPKXWNRDUHMJ-HXUWFJFHSA-N 2 0 331.504 2.423 20 10 EECDRP CN1CCCc2cc(C[NH+]3CCN(C4(C)CC[NH2+]CC4)CC3)ccc21 ZINC001235816750 1305404481 /nfs/dbraw/zinc/40/44/81/1305404481.db2.gz YLQHZWPBMQWUDW-UHFFFAOYSA-N 2 0 342.531 2.329 20 10 EECDRP CCN(CC)c1ccc(C[NH+]2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC001236128559 1305507980 /nfs/dbraw/zinc/50/79/80/1305507980.db2.gz LUVHCHIWQQEVCG-UHFFFAOYSA-N 2 0 330.520 2.402 20 10 EECDRP CCCC[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177139 1310253933 /nfs/dbraw/zinc/25/39/33/1310253933.db2.gz ZGRDACIGISWNCP-RTBURBONSA-N 3 0 330.520 2.497 20 10 EECDRP COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C[NH+](C)C)c1O ZINC001139259277 1314722992 /nfs/dbraw/zinc/72/29/92/1314722992.db2.gz PEHNTBUUTZIRSK-SJORKVTESA-N 2 0 333.476 2.131 20 10 EECDRP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]2C1 ZINC001139410758 1314741010 /nfs/dbraw/zinc/74/10/10/1314741010.db2.gz CKMOYKFVTMADLM-PMACEKPBSA-N 3 0 342.531 2.212 20 10 EECDRP COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139413173 1314741383 /nfs/dbraw/zinc/74/13/83/1314741383.db2.gz STIJWTAQHRMHAO-GOSISDBHSA-N 2 0 345.487 2.214 20 10 EECDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000839563763 1315215464 /nfs/dbraw/zinc/21/54/64/1315215464.db2.gz NRQZDCJRLXPPBW-INIZCTEOSA-N 2 0 346.519 2.392 20 10 EECDRP CCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841019670 1315456198 /nfs/dbraw/zinc/45/61/98/1315456198.db2.gz MZGKNBWMMPBJOT-INIZCTEOSA-N 2 0 333.476 2.192 20 10 EECDRP CN(C)c1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)c(C(F)(F)F)c1 ZINC000841108396 1315477729 /nfs/dbraw/zinc/47/77/29/1315477729.db2.gz YLRXCFIUVBNORJ-UHFFFAOYSA-N 2 0 331.382 2.057 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125760 1315849126 /nfs/dbraw/zinc/84/91/26/1315849126.db2.gz HKBCQFNHHQUEGU-MOPGFXCFSA-N 2 0 329.488 2.345 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C[N@@H+]2CCC(C)(C)C2)cc1C ZINC001166764411 1321784028 /nfs/dbraw/zinc/78/40/28/1321784028.db2.gz BDXCVKLYAAEMPF-UHFFFAOYSA-N 2 0 347.503 2.331 20 10 EECDRP c1ccc(N2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)cc1 ZINC001204598569 1322193239 /nfs/dbraw/zinc/19/32/39/1322193239.db2.gz LPWUBTFTZFCCPI-UHFFFAOYSA-N 2 0 336.483 2.418 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206021694 1323371192 /nfs/dbraw/zinc/37/11/92/1323371192.db2.gz ATAORGPAMJQGMO-IRXDYDNUSA-N 3 0 348.510 2.384 20 10 EECDRP [NH3+][C@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@@H]1F ZINC001206164966 1323409548 /nfs/dbraw/zinc/40/95/48/1323409548.db2.gz LSOZAYPLEQWXSD-IRXDYDNUSA-N 2 0 333.451 2.352 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCCC[C@](F)(C[NH3+])C3)cc2)CC1 ZINC001206351799 1323467144 /nfs/dbraw/zinc/46/71/44/1323467144.db2.gz INDQBKZVUZJVON-IBGZPJMESA-N 2 0 334.483 2.091 20 10 EECDRP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC001308204577 1331572435 /nfs/dbraw/zinc/57/24/35/1331572435.db2.gz ACRRMGMCQRUGOM-PMACEKPBSA-N 2 0 328.504 2.155 20 10 EECDRP C[C@@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[NH+]1CCCCCC1 ZINC000832274387 1372422148 /nfs/dbraw/zinc/42/21/48/1372422148.db2.gz SVCODSSUYQFIPZ-MAUKXSAKSA-N 2 0 332.492 2.133 20 10 EECDRP COc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1C ZINC000816620373 784156545 /nfs/dbraw/zinc/15/65/45/784156545.db2.gz SCWSEINJJYYREZ-UHFFFAOYSA-N 2 0 333.476 2.085 20 10 EECDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817893868 785048413 /nfs/dbraw/zinc/04/84/13/785048413.db2.gz JKFXSLHFUQZRPO-KDOFPFPSSA-N 2 0 335.467 2.265 20 10 EECDRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1O ZINC000817944492 785095075 /nfs/dbraw/zinc/09/50/75/785095075.db2.gz DWBMMFYEQDLZNT-CQSZACIVSA-N 2 0 331.382 2.357 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1C ZINC001176857747 798624294 /nfs/dbraw/zinc/62/42/94/798624294.db2.gz ZZBIYFOMYYQJTJ-CALCHBBNSA-N 2 0 347.503 2.472 20 10 EECDRP CN(C)c1ccc(CN2CCN(CC[NH+]3CCCC3)CC2)cc1F ZINC000119517759 462907515 /nfs/dbraw/zinc/90/75/15/462907515.db2.gz DILHFAZBOCKQSG-UHFFFAOYSA-N 2 0 334.483 2.105 20 10 EECDRP CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775634756 577441415 /nfs/dbraw/zinc/44/14/15/577441415.db2.gz WIGKOQUFDIDTGY-SFHVURJKSA-N 2 0 345.487 2.214 20 10 EECDRP COc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1O ZINC000841032428 691685192 /nfs/dbraw/zinc/68/51/92/691685192.db2.gz DTJYFPCZLDBLMX-SNVBAGLBSA-N 2 0 329.238 2.253 20 10 EECDRP C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001275418596 1205351431 /nfs/dbraw/zinc/35/14/31/1205351431.db2.gz HNMLLRAHDFPFEN-HXUWFJFHSA-N 2 0 347.503 2.337 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1C ZINC000968912901 1221664083 /nfs/dbraw/zinc/66/40/83/1221664083.db2.gz WSOLICPRFQNTTR-MJGOQNOKSA-N 2 0 345.487 2.034 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1C ZINC001075108715 1257384939 /nfs/dbraw/zinc/38/49/39/1257384939.db2.gz FGICHGOXNKOGFK-JQHSSLGASA-N 2 0 345.487 2.034 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[NH2+][C@H](C(C)C)C3)cc2)CC1 ZINC001235471814 1305245284 /nfs/dbraw/zinc/24/52/84/1305245284.db2.gz OUIYQFIRLBIQPG-FQEVSTJZSA-N 2 0 330.520 2.258 20 10 EECDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236218878 1305536960 /nfs/dbraw/zinc/53/69/60/1305536960.db2.gz SYZQUSNLJYPDKX-RTBURBONSA-N 2 0 334.483 2.279 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[N@@H+]4CCCC[C@H]4C3)c(F)c2)CC1 ZINC001236940889 1305738788 /nfs/dbraw/zinc/73/87/88/1305738788.db2.gz VTCQAIPUNBQFKI-IBGZPJMESA-N 2 0 346.494 2.248 20 10 EECDRP C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236943495 1305740513 /nfs/dbraw/zinc/74/05/13/1305740513.db2.gz SCWPBAMQMIXSEA-IBGZPJMESA-N 2 0 346.494 2.246 20 10 EECDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC001140288107 1314854451 /nfs/dbraw/zinc/85/44/51/1314854451.db2.gz NCJQQLREKRJWGD-UHFFFAOYSA-N 2 0 329.488 2.175 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCC[C@H]4C[N@H+](C)C[C@@H]43)cc2)CC1 ZINC001140304658 1314861919 /nfs/dbraw/zinc/86/19/19/1314861919.db2.gz XPXNSGWTBJECOQ-FPOVZHCZSA-N 2 0 342.531 2.355 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCCN(C)[C@@H]4C3)cc2)CC1 ZINC001140309723 1314865309 /nfs/dbraw/zinc/86/53/09/1314865309.db2.gz RWDPPJVTLQDYBR-TZIWHRDSSA-N 2 0 342.531 2.355 20 10 EECDRP [NH3+]CCc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000841036631 1315459919 /nfs/dbraw/zinc/45/99/19/1315459919.db2.gz RAWVHJYMENAKDB-UHFFFAOYSA-N 2 0 325.456 2.314 20 10 EECDRP Fc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843125228 1315849296 /nfs/dbraw/zinc/84/92/96/1315849296.db2.gz OLOKCSYHOUJGNZ-ZWKOTPCHSA-N 2 0 347.478 2.484 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001157435084 1318638277 /nfs/dbraw/zinc/63/82/77/1318638277.db2.gz RGRDMVBKZCDFOY-FUHWJXTLSA-N 2 0 345.487 2.076 20 10 EECDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)ccc2O1 ZINC001205256108 1322332782 /nfs/dbraw/zinc/33/27/82/1322332782.db2.gz NFXCRWPDKQMQFM-LJQANCHMSA-N 2 0 332.444 2.252 20 10 EECDRP CN1CCN(c2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2F)CC1 ZINC001328413644 1334456328 /nfs/dbraw/zinc/45/63/28/1334456328.db2.gz UYCFZNJYFRBCEG-UHFFFAOYSA-N 2 0 346.494 2.153 20 10 EECDRP Cc1cc(O)c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1Cl ZINC000825537026 1369129021 /nfs/dbraw/zinc/12/90/21/1369129021.db2.gz QDDGKUJIDXVCJY-CQSZACIVSA-N 2 0 325.884 2.470 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@H](C)[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC000817902639 785055112 /nfs/dbraw/zinc/05/51/12/785055112.db2.gz VUMVPHPWUOEZBY-QAPCUYQASA-N 2 0 334.483 2.198 20 10 EECDRP COc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000271213607 464289168 /nfs/dbraw/zinc/28/91/68/464289168.db2.gz MQBQKALQFFSCCJ-UHFFFAOYSA-N 2 0 347.503 2.391 20 10 EECDRP Cc1cccc(NCC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000771841144 577233657 /nfs/dbraw/zinc/23/36/57/577233657.db2.gz DSPPZOHRRCENCX-UHFFFAOYSA-N 2 0 339.487 2.344 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC4(C3)CCOCC4)cc2)CC1 ZINC000775735438 577444276 /nfs/dbraw/zinc/44/42/76/577444276.db2.gz UKTDDEDIBRJKPX-UHFFFAOYSA-N 2 0 329.488 2.441 20 10 EECDRP CCOCCO[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775738373 577444394 /nfs/dbraw/zinc/44/43/94/577444394.db2.gz CDGYGGKZPPSGBY-FQEVSTJZSA-N 2 0 347.503 2.066 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000891247191 676241511 /nfs/dbraw/zinc/24/15/11/676241511.db2.gz GVGPETCXJUNYRF-LJQANCHMSA-N 2 0 346.519 2.203 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[NH+](C)C)cc1 ZINC000891249653 676244281 /nfs/dbraw/zinc/24/42/81/676244281.db2.gz VIBUHIQCMKQSIQ-OALUTQOASA-N 2 0 344.503 2.098 20 10 EECDRP CC(=O)OC[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000893227346 684183782 /nfs/dbraw/zinc/18/37/82/684183782.db2.gz XFCANJKORIOINY-INIZCTEOSA-N 2 0 345.487 2.260 20 10 EECDRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289291 1202041133 /nfs/dbraw/zinc/04/11/33/1202041133.db2.gz KBWCWNBVIHIBRX-QGZVFWFLSA-N 2 0 346.519 2.175 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C ZINC000968728659 1221520227 /nfs/dbraw/zinc/52/02/27/1221520227.db2.gz UCWUXIVEJZNXSN-KBAYOESNSA-N 2 0 345.487 2.034 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001000926909 1241226755 /nfs/dbraw/zinc/22/67/55/1241226755.db2.gz KQZZYMGSJGZECK-ZWKOTPCHSA-N 2 0 345.487 2.036 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C)n3C)cc2F)CC1 ZINC000850126909 1277048297 /nfs/dbraw/zinc/04/82/97/1277048297.db2.gz RYGYVGMJPSPKHS-UHFFFAOYSA-N 2 0 345.466 2.299 20 10 EECDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858097461 1294005003 /nfs/dbraw/zinc/00/50/03/1294005003.db2.gz NFFNJHDBNMDCIK-CQSZACIVSA-N 2 0 340.462 2.146 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222136315 1299379878 /nfs/dbraw/zinc/37/98/78/1299379878.db2.gz QSIZYUWJOGQINH-JXFKEZNVSA-N 2 0 346.471 2.374 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCCC[C@]34CC[NH2+]C4)c(F)c2)CC1 ZINC001235130074 1305125679 /nfs/dbraw/zinc/12/56/79/1305125679.db2.gz QSSXJHRTHRLALK-HXUWFJFHSA-N 2 0 346.494 2.296 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@]1(C)O ZINC001236931368 1305733699 /nfs/dbraw/zinc/73/36/99/1305733699.db2.gz JZNQWVIBOMRUKN-BEFAXECRSA-N 2 0 335.467 2.170 20 10 EECDRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176386 1310254159 /nfs/dbraw/zinc/25/41/59/1310254159.db2.gz XIRAOVAHXXTWEY-HKUYNNGSSA-N 3 0 330.520 2.353 20 10 EECDRP [NH3+][C@H](c1ccccc1O)[C@H](NC1CC[NH2+]CC1)c1ccccc1O ZINC001246346698 1310284789 /nfs/dbraw/zinc/28/47/89/1310284789.db2.gz YUPVTGPMAZJEHX-RTBURBONSA-N 2 0 327.428 2.181 20 10 EECDRP CCCC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139408879 1314740020 /nfs/dbraw/zinc/74/00/20/1314740020.db2.gz GPHBJNPZGPXKIA-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4c(cc[nH]c4=O)C3)cc2)CC1 ZINC001139410821 1314740574 /nfs/dbraw/zinc/74/05/74/1314740574.db2.gz HEPOWSVKPYRVLG-UHFFFAOYSA-N 2 0 338.455 2.097 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)[C@H](C)C3)cc2)CC1 ZINC001140302508 1314861202 /nfs/dbraw/zinc/86/12/02/1314861202.db2.gz SOXIDFLKWNEFOH-YLJYHZDGSA-N 2 0 331.504 2.421 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843121736 1315848123 /nfs/dbraw/zinc/84/81/23/1315848123.db2.gz JITBRHWCEGYXMD-LJQANCHMSA-N 2 0 346.519 2.352 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124795 1315848731 /nfs/dbraw/zinc/84/87/31/1315848731.db2.gz GUKUPZZCFQMJPS-PMACEKPBSA-N 3 0 342.531 2.260 20 10 EECDRP C[N@@H+]1CC[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001255420154 1318398198 /nfs/dbraw/zinc/39/81/98/1318398198.db2.gz KTPOVAPOFRMOQI-UPRAQXHNSA-N 2 0 327.428 2.133 20 10 EECDRP CN1CCN(c2ccc(C[N@H+](C)CCCn3ccnc3)cc2F)CC1 ZINC001323806211 1333543391 /nfs/dbraw/zinc/54/33/91/1333543391.db2.gz GEBXTAZTDJFRPH-UHFFFAOYSA-N 2 0 345.466 2.296 20 10 EECDRP C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001328792092 1334522230 /nfs/dbraw/zinc/52/22/30/1334522230.db2.gz MHTVNIAOPJNYEX-WBVHZDCISA-N 2 0 335.467 2.028 20 10 EECDRP CN1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cc2F)CC1 ZINC001331418961 1335010682 /nfs/dbraw/zinc/01/06/82/1335010682.db2.gz MOXHDCYBIGGOSY-AEFFLSMTSA-N 2 0 334.483 2.185 20 10 EECDRP CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@@H]1CCC[N@@H+]1C ZINC001345229007 1337431803 /nfs/dbraw/zinc/43/18/03/1337431803.db2.gz KNFDPJVJCPCWGD-KRWDZBQOSA-N 2 0 334.483 2.104 20 10 EECDRP CCc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000848890704 1338794709 /nfs/dbraw/zinc/79/47/09/1338794709.db2.gz UDUKJSDYECDTEN-APWZRJJASA-N 2 0 331.504 2.412 20 10 EECDRP CC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140288834 1372557580 /nfs/dbraw/zinc/55/75/80/1372557580.db2.gz VRWQGBIZKYXPSF-ROUUACIJSA-N 2 0 329.488 2.031 20 10 EECDRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC000999831872 795032467 /nfs/dbraw/zinc/03/24/67/795032467.db2.gz NBLRXMUEVDKFAD-WWDZGPRUSA-N 2 0 345.487 2.034 20 10 EECDRP CN(C)c1ccc(CNC[C@](C)(O)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000280417224 464204946 /nfs/dbraw/zinc/20/49/46/464204946.db2.gz WQNBDQZCGRPVKW-HNNXBMFYSA-N 2 0 333.398 2.174 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCC(O)CC3)cc2F)CC1 ZINC000286336829 464884868 /nfs/dbraw/zinc/88/48/68/464884868.db2.gz YCGJTNQSFHZXSD-UHFFFAOYSA-N 2 0 335.467 2.361 20 10 EECDRP COc1ccc(O)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000375244338 466832841 /nfs/dbraw/zinc/83/28/41/466832841.db2.gz FSBREIRQSYVGSK-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1O ZINC000771827479 577233000 /nfs/dbraw/zinc/23/30/00/577233000.db2.gz KAEHVMJYDUJXQA-UHFFFAOYSA-N 2 0 341.455 2.442 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000775714148 577443530 /nfs/dbraw/zinc/44/35/30/577443530.db2.gz MWFHMXRWRDQNQU-FQEVSTJZSA-N 3 0 342.531 2.356 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[NH+](C)C)cc1 ZINC000891249656 676244266 /nfs/dbraw/zinc/24/42/66/676244266.db2.gz VIBUHIQCMKQSIQ-RBUKOAKNSA-N 2 0 344.503 2.098 20 10 EECDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255989 676251951 /nfs/dbraw/zinc/25/19/51/676251951.db2.gz UPZKILPYJMPZHP-RTBURBONSA-N 2 0 346.519 2.346 20 10 EECDRP Oc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1O ZINC001275820968 1205549851 /nfs/dbraw/zinc/54/98/51/1205549851.db2.gz CKYSEXBKRPZXAD-UHFFFAOYSA-N 2 0 342.443 2.309 20 10 EECDRP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001045089098 1233495114 /nfs/dbraw/zinc/49/51/14/1233495114.db2.gz AHTZQKNNUPTRTK-ZWKOTPCHSA-N 2 0 347.503 2.424 20 10 EECDRP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N(C)C)cc1 ZINC000902518402 1237776943 /nfs/dbraw/zinc/77/69/43/1237776943.db2.gz QKWSCHMYZVLIEV-MLYOOKFZSA-N 2 0 330.520 2.333 20 10 EECDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(O)cccc1Br ZINC000862367323 1295810701 /nfs/dbraw/zinc/81/07/01/1295810701.db2.gz DRWGVFZLNAEWCM-UHFFFAOYSA-N 2 0 344.297 2.080 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222389874 1299532669 /nfs/dbraw/zinc/53/26/69/1299532669.db2.gz HTECNIYPQMGRBT-HXUWFJFHSA-N 2 0 328.504 2.204 20 10 EECDRP CC[N@H+](C)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236944111 1305739496 /nfs/dbraw/zinc/73/94/96/1305739496.db2.gz CAIMLKCLZKCUNL-UHFFFAOYSA-N 2 0 348.510 2.494 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+][C@H]1CCC2(C1)CC[NH2+]CC2 ZINC001246171127 1310251990 /nfs/dbraw/zinc/25/19/90/1310251990.db2.gz BRKIOUNBNCNECX-SFHVURJKSA-N 3 0 328.504 2.108 20 10 EECDRP Fc1cccc2c1C[C@@H]([NH2+]Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001246173712 1310253833 /nfs/dbraw/zinc/25/38/33/1310253833.db2.gz MBDUPZKKTSYDJZ-KRWDZBQOSA-N 2 0 325.431 2.492 20 10 EECDRP COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139411426 1314740995 /nfs/dbraw/zinc/74/09/95/1314740995.db2.gz LECQGQIOSQJSAH-SFHVURJKSA-N 2 0 345.487 2.214 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)[C@H](C)C3)cc2)CC1 ZINC001140302500 1314861438 /nfs/dbraw/zinc/86/14/38/1314861438.db2.gz SJSIJYIYIXGQLI-XLIONFOSSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)[C@@H](C)C3)cc2)CC1 ZINC001140302504 1314861652 /nfs/dbraw/zinc/86/16/52/1314861652.db2.gz SOXIDFLKWNEFOH-FXAWDEMLSA-N 2 0 331.504 2.421 20 10 EECDRP COc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000843341039 1315893975 /nfs/dbraw/zinc/89/39/75/1315893975.db2.gz BSQKQXDOMYAKFZ-BRSBDYLESA-N 2 0 329.488 2.499 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1C ZINC000939753476 777300525 /nfs/dbraw/zinc/30/05/25/777300525.db2.gz FVYRSLHWWPNSAT-SJLPKXTDSA-N 2 0 345.487 2.036 20 10 EECDRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000809732031 783313915 /nfs/dbraw/zinc/31/39/15/783313915.db2.gz AOVAGBDXPUUYQV-UHFFFAOYSA-N 2 0 347.503 2.452 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)cc2)CC1 ZINC000809767572 783339781 /nfs/dbraw/zinc/33/97/81/783339781.db2.gz ONCAQXZWFDZUSO-FPOVZHCZSA-N 3 0 342.531 2.355 20 10 EECDRP C[C@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000817899958 785055760 /nfs/dbraw/zinc/05/57/60/785055760.db2.gz NRAMNLUEOLVWBB-JSGCOSHPSA-N 2 0 325.403 2.454 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1C ZINC001147834513 791992245 /nfs/dbraw/zinc/99/22/45/791992245.db2.gz LAUCDDCXEDMDJN-MSOLQXFVSA-N 2 0 347.503 2.330 20 10 EECDRP CC(C)[N@H+](CCC(=O)N1CCN(C)CC1)Cc1ccc(N(C)C)cc1 ZINC000283614171 463944238 /nfs/dbraw/zinc/94/42/38/463944238.db2.gz RDXLSLGWSQUJFK-UHFFFAOYSA-N 2 0 346.519 2.127 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3COCC3(C)C)cc2F)CC1 ZINC000894234173 681411232 /nfs/dbraw/zinc/41/12/32/681411232.db2.gz REFXQCSPNIWYIX-SFHVURJKSA-N 2 0 335.467 2.482 20 10 EECDRP COc1ccc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(OC)c1 ZINC000895816224 684735053 /nfs/dbraw/zinc/73/50/53/684735053.db2.gz BXZFAHKEWXKAPW-UHFFFAOYSA-N 2 0 333.476 2.168 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000840928716 694439835 /nfs/dbraw/zinc/43/98/35/694439835.db2.gz GOLVJVXOEUYKGT-FQEVSTJZSA-N 2 0 332.536 2.423 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CCO)cc3)cc2)CC1 ZINC000898170368 691890048 /nfs/dbraw/zinc/89/00/48/691890048.db2.gz FFEWLRBKUABDJQ-UHFFFAOYSA-N 2 0 339.483 2.263 20 10 EECDRP CC[NH+](CC)CC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100771116 1259242148 /nfs/dbraw/zinc/24/21/48/1259242148.db2.gz YURROGIKAWWKCC-UHFFFAOYSA-N 2 0 347.503 2.330 20 10 EECDRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216001716 1297033755 /nfs/dbraw/zinc/03/37/55/1297033755.db2.gz INXYMUZKISSAFV-SJLPKXTDSA-N 2 0 347.503 2.282 20 10 EECDRP COc1ccc2ccc(O)c(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)c2c1 ZINC001222099822 1299353369 /nfs/dbraw/zinc/35/33/69/1299353369.db2.gz MEKPPSMZJAAYDC-UHFFFAOYSA-N 2 0 341.455 2.081 20 10 EECDRP COc1cc(O)c(C[NH+]2CCC(F)(C[NH3+])CC2)cc1Br ZINC001222548296 1299675277 /nfs/dbraw/zinc/67/52/77/1299675277.db2.gz FICQVNZFTGUYQE-UHFFFAOYSA-N 2 0 347.228 2.426 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236598162 1305607000 /nfs/dbraw/zinc/60/70/00/1305607000.db2.gz HNZOUVIXKHTYPI-SFHVURJKSA-N 3 0 328.504 2.060 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)c(F)c2)CC1 ZINC001236933963 1305735651 /nfs/dbraw/zinc/73/56/51/1305735651.db2.gz AZSUUCNZGFJXNU-BEFAXECRSA-N 2 0 333.451 2.188 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@]1(C)CO ZINC001118667686 1308917914 /nfs/dbraw/zinc/91/79/14/1308917914.db2.gz FFIVEMNYKYFHSU-DNVCBOLYSA-N 2 0 335.467 2.028 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[NH+](C)C)cc1 ZINC001122413956 1310277561 /nfs/dbraw/zinc/27/75/61/1310277561.db2.gz GZULDLCYFBRHRL-ROUUACIJSA-N 2 0 332.492 2.004 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003699 1323367502 /nfs/dbraw/zinc/36/75/02/1323367502.db2.gz LKMQFLVPYLWBAT-FUHWJXTLSA-N 2 0 331.504 2.455 20 10 EECDRP [NH3+][C@@H]1CC[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@H]1F ZINC001206164961 1323409523 /nfs/dbraw/zinc/40/95/23/1323409523.db2.gz LSOZAYPLEQWXSD-IAGOWNOFSA-N 2 0 333.451 2.352 20 10 EECDRP [NH3+]C1(C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC001580137439 1344480041 /nfs/dbraw/zinc/48/00/41/1344480041.db2.gz LGCNSEYFELWTMG-CQSZACIVSA-N 2 0 337.851 2.008 20 10 EECDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC(CO)CC1 ZINC000809765822 783369654 /nfs/dbraw/zinc/36/96/54/783369654.db2.gz QVPIIGUYIHHFEX-UHFFFAOYSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c(O)cccc3OC)CC2)CC1 ZINC000817414115 784766431 /nfs/dbraw/zinc/76/64/31/784766431.db2.gz SDQRABJBHCJEDN-UHFFFAOYSA-N 2 0 347.503 2.393 20 10 EECDRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817937248 785084532 /nfs/dbraw/zinc/08/45/32/785084532.db2.gz VZHWLJLAHVNLPJ-LBPRGKRZSA-N 2 0 342.281 2.101 20 10 EECDRP CCOc1ccc(O)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289466108 464080638 /nfs/dbraw/zinc/08/06/38/464080638.db2.gz OWSKZPBKGWJJDG-UHFFFAOYSA-N 2 0 335.492 2.249 20 10 EECDRP CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c(O)c1 ZINC000093133197 528664720 /nfs/dbraw/zinc/66/47/20/528664720.db2.gz OWFLVLZSLSMGNK-GOSISDBHSA-N 2 0 347.503 2.393 20 10 EECDRP C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1O)CC2 ZINC001272618204 1190933496 /nfs/dbraw/zinc/93/34/96/1190933496.db2.gz CMDDVYQFGSWZAG-UHFFFAOYSA-N 2 0 345.487 2.158 20 10 EECDRP COc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000883283347 1202040388 /nfs/dbraw/zinc/04/03/88/1202040388.db2.gz BMFXZAGNULXDQU-UHFFFAOYSA-N 2 0 326.444 2.132 20 10 EECDRP Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)ccc1N(C)C ZINC001275360818 1205320564 /nfs/dbraw/zinc/32/05/64/1205320564.db2.gz KLHDKOOSJMBOGN-KDURUIRLSA-N 2 0 330.520 2.271 20 10 EECDRP Oc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001275952951 1205601425 /nfs/dbraw/zinc/60/14/25/1205601425.db2.gz PYYXHSSVFVYXNF-UHFFFAOYSA-N 2 0 342.443 2.309 20 10 EECDRP COCCOC[N@H+]1CC[C@H]2C[NH+](Cc3ccc(C)cc3O)C[C@H]2CC1 ZINC001276168189 1205811140 /nfs/dbraw/zinc/81/11/40/1205811140.db2.gz CGRHBMTWSSYTNT-HDICACEKSA-N 2 0 348.487 2.465 20 10 EECDRP COc1ccc(N(C)CC[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903768648 1241882795 /nfs/dbraw/zinc/88/27/95/1241882795.db2.gz OHUPJWOKRIZUCK-LJQANCHMSA-N 2 0 347.503 2.222 20 10 EECDRP COc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850127605 1277054648 /nfs/dbraw/zinc/05/46/48/1277054648.db2.gz XEWASCRKMRSAJC-OAHLLOKOSA-N 2 0 349.519 2.424 20 10 EECDRP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001187299236 1279499117 /nfs/dbraw/zinc/49/91/17/1279499117.db2.gz XAUJYOIUKPQLET-GOSISDBHSA-N 2 0 347.503 2.426 20 10 EECDRP C[NH+](C)CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2O)CC1 ZINC001233451274 1304468924 /nfs/dbraw/zinc/46/89/24/1304468924.db2.gz DUEVHGBHDSAHNQ-UHFFFAOYSA-N 2 0 331.382 2.090 20 10 EECDRP Oc1cc2c(cc1CN1CC[NH2+]C[C@H]1c1cccs1)C[NH2+]CCO2 ZINC001236117335 1305505692 /nfs/dbraw/zinc/50/56/92/1305505692.db2.gz UCHWSBWAIRFJSD-HNNXBMFYSA-N 2 0 345.468 2.082 20 10 EECDRP OC1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237391071 1305916712 /nfs/dbraw/zinc/91/67/12/1305916712.db2.gz JYFQSNBXYQLYII-PXNSSMCTSA-N 2 0 329.488 2.222 20 10 EECDRP COc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc(C[NH+](C)C)c1O ZINC001139257646 1314722208 /nfs/dbraw/zinc/72/22/08/1314722208.db2.gz ZSKBQKLKLRUPLS-QGZVFWFLSA-N 2 0 333.476 2.133 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2F)CC1 ZINC000843343176 1315894588 /nfs/dbraw/zinc/89/45/88/1315894588.db2.gz VZFAVAAPMFCKBE-YESZJQIVSA-N 2 0 347.478 2.265 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C23CCC[NH+]2CCC3)cc1C ZINC001161795423 1320626126 /nfs/dbraw/zinc/62/61/26/1320626126.db2.gz GSZXFTKVLXNRCW-UHFFFAOYSA-N 2 0 345.487 2.228 20 10 EECDRP Oc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)cc1O ZINC001203875799 1321980013 /nfs/dbraw/zinc/98/00/13/1321980013.db2.gz VTGBMNOMICGMBH-UHFFFAOYSA-N 2 0 334.460 2.422 20 10 EECDRP COc1ccc(C[NH2+]C2CCN(C(=O)CC[NH+](C)C)CC2)cc1C ZINC001202330124 1368927465 /nfs/dbraw/zinc/92/74/65/1368927465.db2.gz BWDLUGZWQRJTQS-UHFFFAOYSA-N 2 0 333.476 2.036 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc2)CC1 ZINC000816641648 784164797 /nfs/dbraw/zinc/16/47/97/784164797.db2.gz ATYBUKYAHNMVHO-NRFANRHFSA-N 3 0 342.531 2.356 20 10 EECDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846144336 790074079 /nfs/dbraw/zinc/07/40/79/790074079.db2.gz IVGZHQLPVLFMBX-CVEARBPZSA-N 2 0 335.492 2.325 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](N)[C@@H](F)CC3)cc2)CC1 ZINC001206173747 797056247 /nfs/dbraw/zinc/05/62/47/797056247.db2.gz JVQGEQNUPHDGNA-OALUTQOASA-N 2 0 334.483 2.090 20 10 EECDRP COc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c(O)c1 ZINC000793387246 810311872 /nfs/dbraw/zinc/31/18/72/810311872.db2.gz AZVWRGPDWKWMCG-UHFFFAOYSA-N 2 0 341.455 2.442 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597458 237048077 /nfs/dbraw/zinc/04/80/77/237048077.db2.gz XARMCBSOAUHKQG-LJQANCHMSA-N 2 0 329.488 2.441 20 10 EECDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185345182 463806263 /nfs/dbraw/zinc/80/62/63/463806263.db2.gz IZFHGCLBFDXUGD-CVEARBPZSA-N 2 0 335.492 2.325 20 10 EECDRP CCOCc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1OC ZINC000282276019 464760236 /nfs/dbraw/zinc/76/02/36/464760236.db2.gz HVNYUYYRJKZMTG-UHFFFAOYSA-N 2 0 349.519 2.347 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374254138 467035011 /nfs/dbraw/zinc/03/50/11/467035011.db2.gz LBHQIOYJWUWOKZ-XLIONFOSSA-N 2 0 330.520 2.210 20 10 EECDRP CN(C)[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccco1 ZINC000771822825 577232809 /nfs/dbraw/zinc/23/28/09/577232809.db2.gz JLFQKJBQWKBYEZ-LJQANCHMSA-N 2 0 342.487 2.424 20 10 EECDRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(Br)cc1O ZINC000774376156 577397183 /nfs/dbraw/zinc/39/71/83/577397183.db2.gz FKUMZVMAKKAVET-NSHDSACASA-N 2 0 331.254 2.384 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000775669191 577442279 /nfs/dbraw/zinc/44/22/79/577442279.db2.gz UKFMTBDSNNOOOB-FQEVSTJZSA-N 2 0 328.504 2.109 20 10 EECDRP Cn1nc(C2CC2)cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895608199 684661776 /nfs/dbraw/zinc/66/17/76/684661776.db2.gz ZBBXCTIHOMEDBN-UHFFFAOYSA-N 2 0 339.487 2.339 20 10 EECDRP Cc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]CC(=O)N(C)C)(C2)CCC3)c1O ZINC001276081001 1205764145 /nfs/dbraw/zinc/76/41/45/1205764145.db2.gz ZJNBIUGFEQUNSH-VQTJNVASSA-N 2 0 345.487 2.313 20 10 EECDRP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc3ccccc3c1O)C2 ZINC001276374057 1229459622 /nfs/dbraw/zinc/45/96/22/1229459622.db2.gz PWKFOYFHBYLLAV-UHFFFAOYSA-N 2 0 325.456 2.367 20 10 EECDRP Cc1cc(N(C)C)nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC000800723868 1234477655 /nfs/dbraw/zinc/47/76/55/1234477655.db2.gz UUJMOUCMNALTHT-UHFFFAOYSA-N 2 0 340.475 2.215 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@H]2C)cc1C ZINC001074565190 1257072839 /nfs/dbraw/zinc/07/28/39/1257072839.db2.gz YFEPNXQSIWWQTJ-RYQLBKOJSA-N 2 0 345.487 2.177 20 10 EECDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850565836 1277268208 /nfs/dbraw/zinc/26/82/08/1277268208.db2.gz IDYUBUSBAKBMQG-UZLBHIALSA-N 2 0 331.504 2.468 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001152480076 1285243331 /nfs/dbraw/zinc/24/33/31/1285243331.db2.gz MEMRKXGTSMTSID-LJQANCHMSA-N 2 0 347.503 2.330 20 10 EECDRP [NH3+][C@H](CC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1ccccc1O ZINC001218996722 1297900818 /nfs/dbraw/zinc/90/08/18/1297900818.db2.gz NIKYZFURVXHONB-RHSMWYFYSA-N 2 0 325.412 2.498 20 10 EECDRP COC(=O)c1c(C[NH+]2CCC3(C[NH+](C)C3)CC2)c2ccccc2n1C ZINC001232404692 1304108682 /nfs/dbraw/zinc/10/86/82/1304108682.db2.gz XFYWNWYHNWRGSL-UHFFFAOYSA-N 2 0 341.455 2.493 20 10 EECDRP CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CCC[NH2+]C1 ZINC001236009965 1305475516 /nfs/dbraw/zinc/47/55/16/1305475516.db2.gz OUEUETLFTNYWJH-SFHVURJKSA-N 2 0 334.483 2.151 20 10 EECDRP CC(C)C[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236936986 1305736911 /nfs/dbraw/zinc/73/69/11/1305736911.db2.gz WLLITTFSPKJCJX-UHFFFAOYSA-N 2 0 348.510 2.351 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237680890 1306042539 /nfs/dbraw/zinc/04/25/39/1306042539.db2.gz MXNYURPTOOGNGD-OAHLLOKOSA-N 2 0 330.384 2.458 20 10 EECDRP CC[C@@H]1CC([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H](CC)[NH2+]1 ZINC001246172200 1310252754 /nfs/dbraw/zinc/25/27/54/1310252754.db2.gz GMQPFMLNFMDVEM-QZTJIDSGSA-N 3 0 330.520 2.495 20 10 EECDRP CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176390 1310253340 /nfs/dbraw/zinc/25/33/40/1310253340.db2.gz XIRAOVAHXXTWEY-MJGOQNOKSA-N 3 0 330.520 2.353 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302498 1314861014 /nfs/dbraw/zinc/86/10/14/1314861014.db2.gz SJSIJYIYIXGQLI-FXAWDEMLSA-N 2 0 331.504 2.421 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206003155 1323367145 /nfs/dbraw/zinc/36/71/45/1323367145.db2.gz FMKJYNQBEACAAP-CVEARBPZSA-N 2 0 335.467 2.469 20 10 EECDRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000825421947 788628174 /nfs/dbraw/zinc/62/81/74/788628174.db2.gz IVLXRDIIJTUJHV-UHFFFAOYSA-N 2 0 325.884 2.471 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C)cc1C ZINC001082449727 797535324 /nfs/dbraw/zinc/53/53/24/797535324.db2.gz GYYWXDDUQLCBBG-KBAYOESNSA-N 2 0 345.487 2.034 20 10 EECDRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)ccc1O ZINC000817937245 801031461 /nfs/dbraw/zinc/03/14/61/801031461.db2.gz VZHWLJLAHVNLPJ-GFCCVEGCSA-N 2 0 342.281 2.101 20 10 EECDRP CN(C)c1cc[nH+]c(CNCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000922483330 801145464 /nfs/dbraw/zinc/14/54/64/801145464.db2.gz UWKWNWOZTIGMDR-UHFFFAOYSA-N 2 0 339.487 2.189 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)Cc3ccccc3)cc2)CC1 ZINC000808422047 812635807 /nfs/dbraw/zinc/63/58/07/812635807.db2.gz FEVBYSIFJCTZAT-NRFANRHFSA-N 2 0 339.483 2.132 20 10 EECDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043299 530058809 /nfs/dbraw/zinc/05/88/09/530058809.db2.gz NCUNLNFCWDHHLC-QUCCMNQESA-N 2 0 329.488 2.439 20 10 EECDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000771844279 577233799 /nfs/dbraw/zinc/23/37/99/577233799.db2.gz YBUVGTFIKRAGBG-FXAWDEMLSA-N 3 0 330.520 2.258 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+](C[C@@H]3CCOC3)C3CC3)cc2)CC1 ZINC000775649924 577441767 /nfs/dbraw/zinc/44/17/67/577441767.db2.gz UWACQXQZPBRENV-SFHVURJKSA-N 2 0 329.488 2.439 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000754740194 577811777 /nfs/dbraw/zinc/81/17/77/577811777.db2.gz KJQRRPIUCDEIFX-YESZJQIVSA-N 2 0 334.460 2.393 20 10 EECDRP CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000924994886 682335142 /nfs/dbraw/zinc/33/51/42/682335142.db2.gz BJWXITZILFGEIF-FUHWJXTLSA-N 2 0 335.467 2.482 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)F)cc2F)CC1 ZINC000905099074 694528916 /nfs/dbraw/zinc/52/89/16/694528916.db2.gz YMIOBSQEHWOYAF-QGZVFWFLSA-N 2 0 345.409 2.073 20 10 EECDRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000990275971 692802498 /nfs/dbraw/zinc/80/24/98/692802498.db2.gz GEVORUAJPFIOAD-SFHVURJKSA-N 2 0 345.487 2.178 20 10 EECDRP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876779645 1199770884 /nfs/dbraw/zinc/77/08/84/1199770884.db2.gz ASTIEYBPMHUESO-SFHVURJKSA-N 2 0 331.504 2.421 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cc1C ZINC001018966897 1228585237 /nfs/dbraw/zinc/58/52/37/1228585237.db2.gz WSOLICPRFQNTTR-HKUYNNGSSA-N 2 0 345.487 2.034 20 10 EECDRP COc1cc(Br)cc(C[NH2+]C2(C)CC[NH2+]CC2)c1O ZINC000841065595 1284921175 /nfs/dbraw/zinc/92/11/75/1284921175.db2.gz QZGOQLMUSUSSSE-UHFFFAOYSA-N 2 0 329.238 2.395 20 10 EECDRP COc1cc(CN2CCCC[C@@]23CC[NH2+]C3)cc(C[NH+](C)C)c1O ZINC001235117639 1305118562 /nfs/dbraw/zinc/11/85/62/1305118562.db2.gz QEWIFBXNSBLYRU-IBGZPJMESA-N 2 0 333.476 2.180 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@H]1O ZINC001236930647 1305734196 /nfs/dbraw/zinc/73/41/96/1305734196.db2.gz DXMJUJAUCNRSMD-HNAYVOBHSA-N 2 0 335.467 2.170 20 10 EECDRP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(O)c(OC)c1 ZINC001237675118 1306041122 /nfs/dbraw/zinc/04/11/22/1306041122.db2.gz ULNSUTXLMOQBBG-UHFFFAOYSA-N 2 0 329.400 2.127 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CCC(=O)O4)C3)cc2)CC1 ZINC001139411065 1314741072 /nfs/dbraw/zinc/74/10/72/1314741072.db2.gz SSMVTIPGHIGXHV-HXUWFJFHSA-N 2 0 343.471 2.110 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@](C)(C(=O)OC)C3)cc2)CC1 ZINC001140309367 1314865143 /nfs/dbraw/zinc/86/51/43/1314865143.db2.gz CYUQZEYSBGIEIQ-FQEVSTJZSA-N 2 0 345.487 2.214 20 10 EECDRP Fc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)ccc1N1CCOCC1 ZINC000843128946 1315849788 /nfs/dbraw/zinc/84/97/88/1315849788.db2.gz ZXKQYEZGENELAI-UHFFFAOYSA-N 2 0 333.451 2.238 20 10 EECDRP CCOC(=O)CC[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001258475511 1319268098 /nfs/dbraw/zinc/26/80/98/1319268098.db2.gz HTIBHKDOUOESQF-MRXNPFEDSA-N 2 0 333.476 2.260 20 10 EECDRP Oc1cc2c(cc1CN1CC[NH2+]C[C@H]1c1ccccc1)C[NH2+]CCO2 ZINC001210228151 1325208193 /nfs/dbraw/zinc/20/81/93/1325208193.db2.gz SOWVHPHVEFRLDA-SFHVURJKSA-N 2 0 339.439 2.021 20 10 EECDRP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676230 1334141521 /nfs/dbraw/zinc/14/15/21/1334141521.db2.gz PYGJJRWESMRIGL-MSOLQXFVSA-N 2 0 332.492 2.133 20 10 EECDRP COc1ccc(N2CC[C@H]([NH2+]Cc3nc4c(s3)C[NH2+]CC4)C2)cc1 ZINC001579225510 1344354372 /nfs/dbraw/zinc/35/43/72/1344354372.db2.gz OAHIYEXZDYTJAH-ZDUSSCGKSA-N 2 0 344.484 2.166 20 10 EECDRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1O ZINC000817982055 785132214 /nfs/dbraw/zinc/13/22/14/785132214.db2.gz PIJBXBZMFIBQSB-PWSUYJOCSA-N 2 0 329.238 2.184 20 10 EECDRP COc1ccnc(N2CC[NH+](Cc3cc(C)cc(OC)c3O)CC2)c1 ZINC000164298282 789142808 /nfs/dbraw/zinc/14/28/08/789142808.db2.gz IRJJKYLCJMMNBB-UHFFFAOYSA-N 2 0 343.427 2.435 20 10 EECDRP CCOc1cccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000064620228 462712644 /nfs/dbraw/zinc/71/26/44/462712644.db2.gz HGHUENRCAPCVAF-KRWDZBQOSA-N 2 0 335.492 2.153 20 10 EECDRP CCCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(O)c1 ZINC000282194190 464729782 /nfs/dbraw/zinc/72/97/82/464729782.db2.gz CCZTUCRWHBUPHC-UHFFFAOYSA-N 2 0 335.492 2.297 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597461 534472934 /nfs/dbraw/zinc/47/29/34/534472934.db2.gz XARMCBSOAUHKQG-IBGZPJMESA-N 2 0 329.488 2.441 20 10 EECDRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000762482920 577701959 /nfs/dbraw/zinc/70/19/59/577701959.db2.gz NIJCZOZPNNLFBR-GOSISDBHSA-N 2 0 347.503 2.114 20 10 EECDRP Cc1ccc(C)c(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c1O ZINC001273049646 1194353085 /nfs/dbraw/zinc/35/30/85/1194353085.db2.gz YQVWIECRDJXJEC-QZTJIDSGSA-N 2 0 345.487 2.136 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Cn1cccn1 ZINC000873047713 1198484105 /nfs/dbraw/zinc/48/41/05/1198484105.db2.gz AKULOTBIYCHRGI-KRWDZBQOSA-N 2 0 328.460 2.371 20 10 EECDRP COc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001275270166 1205295250 /nfs/dbraw/zinc/29/52/50/1205295250.db2.gz FYIJWFCZXFWERN-HXUWFJFHSA-N 2 0 347.503 2.250 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1C ZINC001135102850 1278140460 /nfs/dbraw/zinc/14/04/60/1278140460.db2.gz PBMIKYMGXNQEEG-ZWKOTPCHSA-N 2 0 345.487 2.226 20 10 EECDRP C[N@H+](CCOCC[NH3+])Cc1ccc(OCc2ccccc2)cc1O ZINC000863650877 1296365504 /nfs/dbraw/zinc/36/55/04/1296365504.db2.gz DLTWZRWZWCSXAM-UHFFFAOYSA-N 2 0 330.428 2.378 20 10 EECDRP COc1cc(CN2CCC[C@@]23CCC[NH2+]C3)cc(C[NH+](C)C)c1O ZINC001222243516 1299434931 /nfs/dbraw/zinc/43/49/31/1299434931.db2.gz LEXYDSHZQZXVST-LJQANCHMSA-N 2 0 333.476 2.180 20 10 EECDRP CCCN(Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC001236322818 1305560778 /nfs/dbraw/zinc/56/07/78/1305560778.db2.gz CGNTZNPUXYYZDO-FQEVSTJZSA-N 2 0 330.520 2.402 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH+]3CCC(C(=O)OC)CC3)cc2)CC1 ZINC001140302198 1314860134 /nfs/dbraw/zinc/86/01/34/1314860134.db2.gz MUHDTPQCGMGGDW-UHFFFAOYSA-N 2 0 345.487 2.214 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)CCC3OCCO3)cc2)CC1 ZINC001140306009 1314863000 /nfs/dbraw/zinc/86/30/00/1314863000.db2.gz KGIBAGGPJQNJKL-UHFFFAOYSA-N 2 0 333.476 2.023 20 10 EECDRP C[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000841846067 1315622017 /nfs/dbraw/zinc/62/20/17/1315622017.db2.gz JOVJMTIPSJRWAX-GDIGMMSISA-N 2 0 340.471 2.205 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CO)cc3)cc2)CC1 ZINC000842732015 1315763804 /nfs/dbraw/zinc/76/38/04/1315763804.db2.gz HLRAIGNJVNWAAY-UHFFFAOYSA-N 2 0 325.456 2.221 20 10 EECDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]21 ZINC000843060242 1315832639 /nfs/dbraw/zinc/83/26/39/1315832639.db2.gz YYHMFBWVUUSZQV-SOLBZPMBSA-N 2 0 333.451 2.222 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000843126348 1315849527 /nfs/dbraw/zinc/84/95/27/1315849527.db2.gz JOGIXECYVLKVBA-IBGZPJMESA-N 2 0 329.488 2.345 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205627416 1323220751 /nfs/dbraw/zinc/22/07/51/1323220751.db2.gz PKGGOISRAFHVLX-JKSUJKDBSA-N 2 0 335.467 2.469 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCCC[C@@](F)(C[NH3+])C3)cc2)CC1 ZINC001206352297 1323466751 /nfs/dbraw/zinc/46/67/51/1323466751.db2.gz SWCAHFRZFWGIEQ-HXUWFJFHSA-N 2 0 348.510 2.481 20 10 EECDRP [NH3+]CCN1CC[NH+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001210029347 1325133122 /nfs/dbraw/zinc/13/31/22/1325133122.db2.gz UVOIYCXSIZAFAR-UHFFFAOYSA-N 2 0 329.419 2.275 20 10 EECDRP Cc1cc(O)c(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000825247527 788533765 /nfs/dbraw/zinc/53/37/65/788533765.db2.gz UEONOYLGTHMHLS-CYBMUJFWSA-N 2 0 325.884 2.327 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C[NH3+])cc3F)cc2)CC1 ZINC000844904779 789444037 /nfs/dbraw/zinc/44/40/37/789444037.db2.gz QOJRNVAQRIBFFZ-UHFFFAOYSA-N 3 0 342.462 2.326 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1C ZINC001127256601 794423473 /nfs/dbraw/zinc/42/34/73/794423473.db2.gz PCNVBJKCQFFPNK-ROUUACIJSA-N 2 0 345.487 2.084 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1C ZINC001130190019 811284435 /nfs/dbraw/zinc/28/44/35/811284435.db2.gz VHVMQSNBQUHKSB-ROUUACIJSA-N 2 0 345.487 2.226 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4cccc(O)c43)cn2)CC1 ZINC000295952240 465031884 /nfs/dbraw/zinc/03/18/84/465031884.db2.gz LMZIMPJFFLTUOY-QGZVFWFLSA-N 2 0 338.455 2.316 20 10 EECDRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000289960474 464102835 /nfs/dbraw/zinc/10/28/35/464102835.db2.gz YIGDUNGRSZYNOR-UHFFFAOYSA-N 2 0 345.487 2.206 20 10 EECDRP CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000377628900 467100666 /nfs/dbraw/zinc/10/06/66/467100666.db2.gz OUQUBMXJSVSZHZ-SFHVURJKSA-N 2 0 348.510 2.492 20 10 EECDRP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775648019 577441777 /nfs/dbraw/zinc/44/17/77/577441777.db2.gz MOUDSFICPGZKGL-HXUWFJFHSA-N 2 0 330.520 2.355 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736284 577444215 /nfs/dbraw/zinc/44/42/15/577444215.db2.gz BKBBUJZUIMNAMC-OALUTQOASA-N 2 0 347.528 2.145 20 10 EECDRP Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)[C@@H](O)CO2 ZINC000768462931 577556296 /nfs/dbraw/zinc/55/62/96/577556296.db2.gz OXCJZSXEOMLWJD-IRWQIABSSA-N 2 0 344.455 2.267 20 10 EECDRP COc1cccc(O)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000769506674 577579341 /nfs/dbraw/zinc/57/93/41/577579341.db2.gz UXODZENUOOUGHB-UHFFFAOYSA-N 2 0 334.460 2.478 20 10 EECDRP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000763333055 577719350 /nfs/dbraw/zinc/71/93/50/577719350.db2.gz OPBMLKVAVJICKU-MJGOQNOKSA-N 2 0 331.504 2.467 20 10 EECDRP COc1cccc(O)c1CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000865708517 1198341528 /nfs/dbraw/zinc/34/15/28/1198341528.db2.gz PDFITULUXZMYJT-UHFFFAOYSA-N 2 0 328.416 2.160 20 10 EECDRP Cc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(O)c1 ZINC000876991476 1199838408 /nfs/dbraw/zinc/83/84/08/1199838408.db2.gz YRNLHIUMLKQUAN-UHFFFAOYSA-N 2 0 326.444 2.137 20 10 EECDRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CN1C1CC1 ZINC000883283513 1202040341 /nfs/dbraw/zinc/04/03/41/1202040341.db2.gz IIQFCABADNPYPQ-AEFFLSMTSA-N 2 0 328.504 2.153 20 10 EECDRP CCOC(=O)C1(C)CC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000883291130 1202041652 /nfs/dbraw/zinc/04/16/52/1202041652.db2.gz SZTVOYWZJXNCCI-UHFFFAOYSA-N 2 0 345.487 2.260 20 10 EECDRP c1ccc2c(c1)C[NH2+][C@@H]1CN(Cc3ccc(N4CC[NH2+]CC4)cc3)C[C@@H]21 ZINC001235221371 1305154154 /nfs/dbraw/zinc/15/41/54/1305154154.db2.gz PKRKDBZUOAGMGI-FCHUYYIVSA-N 2 0 348.494 2.167 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC001235662527 1305319056 /nfs/dbraw/zinc/31/90/56/1305319056.db2.gz DHXBLYREPNLBIE-UHFFFAOYSA-N 2 0 328.504 2.156 20 10 EECDRP Oc1cccc2c1C[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001236072034 1305490730 /nfs/dbraw/zinc/49/07/30/1305490730.db2.gz CVZVOPAEGFYYRT-UHFFFAOYSA-N 2 0 337.467 2.356 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC([NH+]4CCC4)CC3)cc2)CC1 ZINC001139411711 1314740633 /nfs/dbraw/zinc/74/06/33/1314740633.db2.gz ZWSHIUJDLNYBEB-UHFFFAOYSA-N 2 0 328.504 2.109 20 10 EECDRP CC(C)[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206588963 1323539623 /nfs/dbraw/zinc/53/96/23/1323539623.db2.gz DUPDFABQEBQMDT-FQEVSTJZSA-N 3 0 330.520 2.449 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C(C)(C)CN3CCCC3)cc2)CC1 ZINC000825325823 788571405 /nfs/dbraw/zinc/57/14/05/788571405.db2.gz HBXDVEVIAZLLOO-UHFFFAOYSA-N 2 0 330.520 2.402 20 10 EECDRP CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)N1CC[NH+](C)CC1 ZINC000921523398 788836715 /nfs/dbraw/zinc/83/67/15/788836715.db2.gz WXBOYEIZNWBTLC-IBGZPJMESA-N 2 0 331.504 2.373 20 10 EECDRP COc1cccc([C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000846148112 790064442 /nfs/dbraw/zinc/06/44/42/790064442.db2.gz XBXJOOFEDAXNMM-LSDHHAIUSA-N 2 0 333.476 2.220 20 10 EECDRP Fc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1N1CCOCC1 ZINC000843126986 794701986 /nfs/dbraw/zinc/70/19/86/794701986.db2.gz NPWMYRCKNNXHNA-GOSISDBHSA-N 2 0 347.478 2.484 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc4n3CCCC4)cc2)CC1 ZINC000790637572 808843740 /nfs/dbraw/zinc/84/37/40/808843740.db2.gz HTQQMFGXGJZDAN-UHFFFAOYSA-N 2 0 339.487 2.261 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000775659061 577441976 /nfs/dbraw/zinc/44/19/76/577441976.db2.gz UNMCTDBNQPTIJT-OAQYLSRUSA-N 2 0 342.531 2.499 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001022646338 676910388 /nfs/dbraw/zinc/91/03/88/676910388.db2.gz JQRYPVKZZKSWQC-HDICACEKSA-N 2 0 345.487 2.082 20 10 EECDRP C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619499 1190933835 /nfs/dbraw/zinc/93/38/35/1190933835.db2.gz WLXOOGAEFKTXEK-FQEVSTJZSA-N 2 0 345.487 2.158 20 10 EECDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000794806295 1198049875 /nfs/dbraw/zinc/04/98/75/1198049875.db2.gz HCDOEKCECKOWNW-DOTOQJQBSA-N 2 0 333.476 2.329 20 10 EECDRP COc1ccc(N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c(OC)c1 ZINC000873218975 1198533971 /nfs/dbraw/zinc/53/39/71/1198533971.db2.gz CFPALHYVNIKDJC-CVEARBPZSA-N 2 0 333.476 2.214 20 10 EECDRP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877546877 1199962589 /nfs/dbraw/zinc/96/25/89/1199962589.db2.gz XRXGFTPMKONCIY-HXUWFJFHSA-N 2 0 329.488 2.175 20 10 EECDRP CN(C)c1ccncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283788 1202040382 /nfs/dbraw/zinc/04/03/82/1202040382.db2.gz STCLFGMWZVKRON-UHFFFAOYSA-N 2 0 339.487 2.189 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCn4ccnc43)cc2)CC1 ZINC000883291001 1202041768 /nfs/dbraw/zinc/04/17/68/1202041768.db2.gz PEKPHSNPXBWFBE-SFHVURJKSA-N 2 0 325.460 2.260 20 10 EECDRP CN(C)c1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)cc1 ZINC001275833354 1205556043 /nfs/dbraw/zinc/55/60/43/1205556043.db2.gz HQGOODFEPAPIMC-UHFFFAOYSA-N 2 0 330.520 2.212 20 10 EECDRP Cc1cc(O)c(C[NH+]2CC3(C2)CCN(CC[NH+](C)C)C3)cc1Cl ZINC001276372223 1228899200 /nfs/dbraw/zinc/89/92/00/1228899200.db2.gz KBJPQWOXWRPJIP-UHFFFAOYSA-N 2 0 337.895 2.423 20 10 EECDRP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC[NH+](C)CC1 ZINC000850567165 1277268499 /nfs/dbraw/zinc/26/84/99/1277268499.db2.gz XQLUZNUXIHOJPF-MRXNPFEDSA-N 2 0 331.504 2.468 20 10 EECDRP COc1cc(C)c(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276806341 1298080825 /nfs/dbraw/zinc/08/08/25/1298080825.db2.gz MWHNHRULSTXEEU-UHFFFAOYSA-N 2 0 347.503 2.169 20 10 EECDRP COC(=O)c1c(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c2ccccc2n1C ZINC001232400935 1304107515 /nfs/dbraw/zinc/10/75/15/1304107515.db2.gz MZOFAEQPAWWOMO-CABCVRRESA-N 2 0 341.455 2.348 20 10 EECDRP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H](C)[N@H+]1C ZINC001236938795 1305739440 /nfs/dbraw/zinc/73/94/40/1305739440.db2.gz NNKNMDQYERDIJW-IYBDPMFKSA-N 2 0 334.483 2.102 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCNC4=CCCC[C@H]43)cc2)CC1 ZINC001237226831 1305857459 /nfs/dbraw/zinc/85/74/59/1305857459.db2.gz ZKHDHCGHHYZORG-HXUWFJFHSA-N 2 0 326.488 2.280 20 10 EECDRP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125763 1315849022 /nfs/dbraw/zinc/84/90/22/1315849022.db2.gz HKBCQFNHHQUEGU-RTBURBONSA-N 2 0 329.488 2.345 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735212 1322216828 /nfs/dbraw/zinc/21/68/28/1322216828.db2.gz OLVIZTFFFSNMRL-UHFFFAOYSA-N 3 0 328.504 2.062 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](N)[C@H](F)CC3)cc2)CC1 ZINC001206173750 1323413875 /nfs/dbraw/zinc/41/38/75/1323413875.db2.gz JVQGEQNUPHDGNA-RTBURBONSA-N 2 0 334.483 2.090 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206640331 1323552837 /nfs/dbraw/zinc/55/28/37/1323552837.db2.gz IUKOGADDPPMHCW-INIZCTEOSA-N 3 0 334.483 2.138 20 10 EECDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001334903138 1336311100 /nfs/dbraw/zinc/31/11/00/1336311100.db2.gz RMDCUECEETUUHL-CQSZACIVSA-N 2 0 340.462 2.146 20 10 EECDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817939743 785086983 /nfs/dbraw/zinc/08/69/83/785086983.db2.gz BJNBXUWCHHGAHO-YSSFQJQWSA-N 2 0 326.488 2.301 20 10 EECDRP COc1ccc(O)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271823324 464390919 /nfs/dbraw/zinc/39/09/19/464390919.db2.gz NQGBYLMJQHTBNN-UHFFFAOYSA-N 2 0 347.503 2.391 20 10 EECDRP COc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1O ZINC000371416048 465780500 /nfs/dbraw/zinc/78/05/00/465780500.db2.gz IOVUACXRBKJXBK-UHFFFAOYSA-N 2 0 334.460 2.335 20 10 EECDRP C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777219984 577475240 /nfs/dbraw/zinc/47/52/40/577475240.db2.gz OMUWPADDZLLRAF-INIZCTEOSA-N 2 0 346.519 2.173 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3Cc4cccc(O)c4C3)cc2)CC1 ZINC000758544295 577626675 /nfs/dbraw/zinc/62/66/75/577626675.db2.gz JJBNUCAPTNOJJG-SFHVURJKSA-N 2 0 337.467 2.401 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3N)cc2)CC1 ZINC000883283656 1202040527 /nfs/dbraw/zinc/04/05/27/1202040527.db2.gz NKMFXZNNBLKGHH-UHFFFAOYSA-N 2 0 328.435 2.450 20 10 EECDRP Oc1ccccc1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001275266728 1205293888 /nfs/dbraw/zinc/29/38/88/1205293888.db2.gz DGSKTMZNLYVXNM-UHFFFAOYSA-N 2 0 326.444 2.187 20 10 EECDRP Oc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275267632 1205294692 /nfs/dbraw/zinc/29/46/92/1205294692.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 2 0 340.471 2.433 20 10 EECDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc3ccccc3cc1O)C2 ZINC001276813324 1298404405 /nfs/dbraw/zinc/40/44/05/1298404405.db2.gz OBBUVHZBYHQTSB-UHFFFAOYSA-N 2 0 325.456 2.225 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@]1(C)O ZINC001236931373 1305734547 /nfs/dbraw/zinc/73/45/47/1305734547.db2.gz JZNQWVIBOMRUKN-DNVCBOLYSA-N 2 0 335.467 2.170 20 10 EECDRP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@]1(C)O ZINC001139409107 1314741040 /nfs/dbraw/zinc/74/10/40/1314741040.db2.gz WRRVXWIBSCWVSO-FXAWDEMLSA-N 2 0 331.504 2.421 20 10 EECDRP OCC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000843343121 1315894458 /nfs/dbraw/zinc/89/44/58/1315894458.db2.gz SWTYOTIQTFVIAW-VAMGGRTRSA-N 2 0 343.515 2.373 20 10 EECDRP COC(=O)Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(O)c1 ZINC001249207871 1317022984 /nfs/dbraw/zinc/02/29/84/1317022984.db2.gz LAZNUMLORORNGP-UHFFFAOYSA-N 2 0 332.444 2.025 20 10 EECDRP COC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccccc3O)CC2)C1 ZINC001203560895 1321912331 /nfs/dbraw/zinc/91/23/31/1321912331.db2.gz JVTOXGCATFTQSZ-MRXNPFEDSA-N 2 0 332.444 2.242 20 10 EECDRP COc1cc(O)c(C[NH+]2CCC(C[NH3+])CC2)c(Br)c1 ZINC001205053532 1322273940 /nfs/dbraw/zinc/27/39/40/1322273940.db2.gz OWADVHCEWCMBBS-UHFFFAOYSA-N 2 0 329.238 2.334 20 10 EECDRP COC(=O)[C@H](C)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000780893438 1371173389 /nfs/dbraw/zinc/17/33/89/1371173389.db2.gz PXXPBWHAJRCELN-MRXNPFEDSA-N 2 0 345.487 2.212 20 10 EECDRP C[C@@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[NH+]1CCCCCC1 ZINC000832274391 1372422585 /nfs/dbraw/zinc/42/25/85/1372422585.db2.gz SVCODSSUYQFIPZ-YJBOKZPZSA-N 2 0 332.492 2.133 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)[C@@H]3CCOC3)cc2F)CC1 ZINC000155265334 462867704 /nfs/dbraw/zinc/86/77/04/462867704.db2.gz UFKDCPNMBLIBII-DOTOQJQBSA-N 2 0 335.467 2.482 20 10 EECDRP COc1cc(Cl)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1O ZINC000273807451 464724877 /nfs/dbraw/zinc/72/48/77/464724877.db2.gz YFLVLBBREKETMF-UHFFFAOYSA-N 2 0 342.867 2.379 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)c3ccsc3)cc2)CC1 ZINC000771842476 577233844 /nfs/dbraw/zinc/23/38/44/577233844.db2.gz NZWKZQZTQMGJJF-IBGZPJMESA-N 2 0 345.512 2.497 20 10 EECDRP CCOC(=O)CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775662157 577442078 /nfs/dbraw/zinc/44/20/78/577442078.db2.gz AXQXDSAIRGCYHE-UHFFFAOYSA-N 2 0 345.487 2.356 20 10 EECDRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000891248524 676242857 /nfs/dbraw/zinc/24/28/57/676242857.db2.gz XZMRMUZWNVAHEM-OTWHNJEPSA-N 2 0 346.519 2.202 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)CCCn2ccnc2)[NH+](C)C)cc1 ZINC000891252804 676248954 /nfs/dbraw/zinc/24/89/54/676248954.db2.gz NWXCBTKGVOSYEF-GOSISDBHSA-N 2 0 343.475 2.148 20 10 EECDRP Cc1cc(O)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000825773398 1199183875 /nfs/dbraw/zinc/18/38/75/1199183875.db2.gz FWLICTKPJKBHBR-UHFFFAOYSA-N 2 0 325.884 2.470 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001019342703 1229010352 /nfs/dbraw/zinc/01/03/52/1229010352.db2.gz CPOUUNFPKDHHGP-PKOBYXMFSA-N 2 0 347.503 2.280 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1C ZINC001019383151 1229054250 /nfs/dbraw/zinc/05/42/50/1229054250.db2.gz XOJCFUBKSRPLBF-QAPCUYQASA-N 2 0 345.487 2.036 20 10 EECDRP COc1cc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc(C[NH+](C)C)c1O ZINC001276860305 1299965278 /nfs/dbraw/zinc/96/52/78/1299965278.db2.gz HHEUTLNHCNXXCM-HXUWFJFHSA-N 2 0 347.503 2.380 20 10 EECDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC1CC[NH+](C)CC1 ZINC001236934250 1305736824 /nfs/dbraw/zinc/73/68/24/1305736824.db2.gz CYPRNAYOVOWGDI-UHFFFAOYSA-N 3 0 348.510 2.351 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3C[C@H]4[C@H](C3)CCC[N@@H+]4C)c(F)c2)CC1 ZINC001236948901 1305743157 /nfs/dbraw/zinc/74/31/57/1305743157.db2.gz YDKSAIUAPOZVHV-PXNSSMCTSA-N 2 0 346.494 2.104 20 10 EECDRP CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001138499765 1314622725 /nfs/dbraw/zinc/62/27/25/1314622725.db2.gz IHPDRAYJRYXBHU-KDURUIRLSA-N 2 0 329.488 2.297 20 10 EECDRP Fc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)ccc1N1CCOCC1 ZINC000841089868 1315472303 /nfs/dbraw/zinc/47/23/03/1315472303.db2.gz QPIBLUATARDEOP-MRXNPFEDSA-N 2 0 333.451 2.427 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)([NH3+])CC3)c(F)c2)CC1 ZINC001205289068 1322343262 /nfs/dbraw/zinc/34/32/62/1322343262.db2.gz SFAGDIDZTNQVAI-LJQANCHMSA-N 3 0 334.483 2.281 20 10 EECDRP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210493711 1325309316 /nfs/dbraw/zinc/30/93/16/1325309316.db2.gz NZTKNDMYGDCGJK-GOSISDBHSA-N 2 0 347.503 2.426 20 10 EECDRP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC001308204583 1331572118 /nfs/dbraw/zinc/57/21/18/1331572118.db2.gz ACRRMGMCQRUGOM-VQTJNVASSA-N 2 0 328.504 2.155 20 10 EECDRP C[C@H]1CCCN(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308199735 1331572381 /nfs/dbraw/zinc/57/23/81/1331572381.db2.gz ONBJKSSSXMKKJY-SFHVURJKSA-N 2 0 330.520 2.260 20 10 EECDRP C[C@H](COCC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308249549 1331577447 /nfs/dbraw/zinc/57/74/47/1331577447.db2.gz GKVNNTSPSWLUBB-CQSZACIVSA-N 2 0 345.409 2.495 20 10 EECDRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001328681550 1334497683 /nfs/dbraw/zinc/49/76/83/1334497683.db2.gz OCOJEWVARHRUGA-IBGZPJMESA-N 2 0 340.475 2.174 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@]3(O)CCCC3(C)C)cc2)CC1 ZINC000815148497 1367821862 /nfs/dbraw/zinc/82/18/62/1367821862.db2.gz XWDBHUCUNDYWCW-HXUWFJFHSA-N 2 0 331.504 2.469 20 10 EECDRP COc1cc(Br)cc(CN2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843056934 790914122 /nfs/dbraw/zinc/91/41/22/790914122.db2.gz CPQFQCZODWQXTA-ZJUUUORDSA-N 2 0 329.238 2.332 20 10 EECDRP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000817865535 785031552 /nfs/dbraw/zinc/03/15/52/785031552.db2.gz KNRUDRBXBNPHCU-ZIFCJYIRSA-N 3 0 330.520 2.244 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2F)CC1 ZINC000817902483 785054888 /nfs/dbraw/zinc/05/48/88/785054888.db2.gz REYUAMVDEVZQPD-WMZOPIPTSA-N 3 0 334.483 2.185 20 10 EECDRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Br)cc1O ZINC000817936592 785080800 /nfs/dbraw/zinc/08/08/00/785080800.db2.gz PPMGDJLWVLJBCT-LBPRGKRZSA-N 2 0 342.281 2.101 20 10 EECDRP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000788593152 807598492 /nfs/dbraw/zinc/59/84/92/807598492.db2.gz FJQLBQOEKGADHQ-JKSUJKDBSA-N 2 0 333.476 2.247 20 10 EECDRP Cc1cc(Br)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1O ZINC000194542980 463881358 /nfs/dbraw/zinc/88/13/58/463881358.db2.gz IONLNSBLUPZYRM-BETUJISGSA-N 2 0 325.250 2.457 20 10 EECDRP CCOc1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000289181621 464070439 /nfs/dbraw/zinc/07/04/39/464070439.db2.gz AOGZUQDVCMJHLB-UHFFFAOYSA-N 2 0 335.492 2.249 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]CC3=CCCOC3)cc2F)CC1 ZINC000176835569 464862767 /nfs/dbraw/zinc/86/27/67/464862767.db2.gz AISYTTHTEZKORW-UHFFFAOYSA-N 2 0 333.451 2.404 20 10 EECDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000771818397 577232435 /nfs/dbraw/zinc/23/24/35/577232435.db2.gz KDQFMKCMHHWJBB-IBGZPJMESA-N 3 0 330.520 2.258 20 10 EECDRP CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001275913522 1205583316 /nfs/dbraw/zinc/58/33/16/1205583316.db2.gz PASFXHVLXXKDEL-IYBDPMFKSA-N 2 0 335.467 2.237 20 10 EECDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858097460 1294005459 /nfs/dbraw/zinc/00/54/59/1294005459.db2.gz NFFNJHDBNMDCIK-AWEZNQCLSA-N 2 0 340.462 2.146 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001211284874 1295799452 /nfs/dbraw/zinc/79/94/52/1295799452.db2.gz OGCPSELFEGGAAL-SFHVURJKSA-N 2 0 347.503 2.424 20 10 EECDRP COc1cc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc(C[NH+](C)C)c1O ZINC001276860302 1299965378 /nfs/dbraw/zinc/96/53/78/1299965378.db2.gz HHEUTLNHCNXXCM-FQEVSTJZSA-N 2 0 347.503 2.380 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CCCO4)C3)c(F)c2)CC1 ZINC001236934016 1305735730 /nfs/dbraw/zinc/73/57/30/1305735730.db2.gz BKILNVAKQPHWNC-IBGZPJMESA-N 2 0 333.451 2.332 20 10 EECDRP COc1cc(C[NH+]2CCC3(CCOC3)CC2)cc(C[NH+](C)C)c1O ZINC001139253503 1314721348 /nfs/dbraw/zinc/72/13/48/1314721348.db2.gz WGKPAOBIUVPPJA-UHFFFAOYSA-N 2 0 334.460 2.465 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)CCc3noc(C)n3)cc2)CC1 ZINC001140302694 1314861614 /nfs/dbraw/zinc/86/16/14/1314861614.db2.gz XZZMGSDPBBPDHJ-UHFFFAOYSA-N 2 0 343.475 2.194 20 10 EECDRP Cc1cc(N(C)C)ccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000840916777 1315435103 /nfs/dbraw/zinc/43/51/03/1315435103.db2.gz DMIVSXVPQRBFRB-HXUWFJFHSA-N 2 0 330.520 2.273 20 10 EECDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840931966 1315439938 /nfs/dbraw/zinc/43/99/38/1315439938.db2.gz LNZJQPTVLXHJNK-QGZVFWFLSA-N 2 0 332.536 2.424 20 10 EECDRP COc1cc(CN2CCCC[C@](C)(C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206547026 1323528872 /nfs/dbraw/zinc/52/88/72/1323528872.db2.gz AQTPSYYIXNALJM-LJQANCHMSA-N 2 0 335.492 2.413 20 10 EECDRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001336923998 1336617627 /nfs/dbraw/zinc/61/76/27/1336617627.db2.gz RTRQVHVRDJKIKE-CRAIPNDOSA-N 2 0 349.523 2.172 20 10 EECDRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816548343 784110972 /nfs/dbraw/zinc/11/09/72/784110972.db2.gz DPQQVVCQMIFSHM-KRWDZBQOSA-N 2 0 341.455 2.222 20 10 EECDRP CCOc1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c(O)c1 ZINC000825275556 788565216 /nfs/dbraw/zinc/56/52/16/788565216.db2.gz SVHNXPNTEDWQQW-UHFFFAOYSA-N 2 0 335.492 2.297 20 10 EECDRP COc1ccc(Br)c(CN2CCC[C@@H]([NH3+])CC2)c1O ZINC001205110641 795266366 /nfs/dbraw/zinc/26/63/66/795266366.db2.gz XMZIKJUUZGRAPS-SNVBAGLBSA-N 2 0 329.238 2.477 20 10 EECDRP CC[NH+](CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179765866 800097673 /nfs/dbraw/zinc/09/76/73/800097673.db2.gz DROALBGHXQTQKI-WMZOPIPTSA-N 2 0 347.503 2.424 20 10 EECDRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000151559996 463552752 /nfs/dbraw/zinc/55/27/52/463552752.db2.gz IPZVKBQDRSBWTK-APWZRJJASA-N 2 0 331.504 2.468 20 10 EECDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185345162 463806615 /nfs/dbraw/zinc/80/66/15/463806615.db2.gz IZFHGCLBFDXUGD-HOTGVXAUSA-N 2 0 335.492 2.325 20 10 EECDRP COC(=O)CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000775700156 577443177 /nfs/dbraw/zinc/44/31/77/577443177.db2.gz CSYWXICZMGATDY-UHFFFAOYSA-N 2 0 333.476 2.212 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001020543311 675042762 /nfs/dbraw/zinc/04/27/62/675042762.db2.gz JQRYPVKZZKSWQC-IYARVYRRSA-N 2 0 345.487 2.082 20 10 EECDRP COc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001275278786 1205297204 /nfs/dbraw/zinc/29/72/04/1205297204.db2.gz ONGHDTYKGVWLKL-CALCHBBNSA-N 2 0 347.503 2.106 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1C ZINC000968912900 1221664449 /nfs/dbraw/zinc/66/44/49/1221664449.db2.gz WSOLICPRFQNTTR-IEBWSBKVSA-N 2 0 345.487 2.034 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000854230812 1292679404 /nfs/dbraw/zinc/67/94/04/1292679404.db2.gz ZGRMZRMLNYWZFN-FGTMMUONSA-N 2 0 329.488 2.125 20 10 EECDRP CCc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c(O)c1 ZINC001276805418 1298039267 /nfs/dbraw/zinc/03/92/67/1298039267.db2.gz WTDPFDRYZVFDOA-UHFFFAOYSA-N 2 0 331.504 2.414 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237680886 1306042102 /nfs/dbraw/zinc/04/21/02/1306042102.db2.gz MXNYURPTOOGNGD-HNNXBMFYSA-N 2 0 330.384 2.458 20 10 EECDRP CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176391 1310254059 /nfs/dbraw/zinc/25/40/59/1310254059.db2.gz XIRAOVAHXXTWEY-PKOBYXMFSA-N 3 0 330.520 2.353 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@@](C)(O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256089 1314721975 /nfs/dbraw/zinc/72/19/75/1314721975.db2.gz SSUDJFROZMFZNM-IFXJQAMLSA-N 2 0 336.476 2.445 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCCO[C@H]4C3)cc2)CC1 ZINC001139408995 1314740498 /nfs/dbraw/zinc/74/04/98/1314740498.db2.gz RRAMHMRUYQIADJ-ICSRJNTNSA-N 2 0 329.488 2.439 20 10 EECDRP COC[C@@]1(CNCc2cc(Br)cc(C)c2O)CCC[NH2+]1 ZINC000841067275 1315466647 /nfs/dbraw/zinc/46/66/47/1315466647.db2.gz MNAQUKVNHJLWGU-HNNXBMFYSA-N 2 0 343.265 2.321 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C)nn3C)cc2F)CC1 ZINC000841862062 1315626063 /nfs/dbraw/zinc/62/60/63/1315626063.db2.gz XDXCSODBMBVPNL-UHFFFAOYSA-N 2 0 345.466 2.299 20 10 EECDRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1N1CCOCC1 ZINC000843126650 1315849261 /nfs/dbraw/zinc/84/92/61/1315849261.db2.gz SDIZFHLODHCGAU-BRWVUGGUSA-N 2 0 333.451 2.140 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3C[C@H](C)CC[C@H]3C[NH3+])cc2)CC1 ZINC001205832032 1323313241 /nfs/dbraw/zinc/31/32/41/1323313241.db2.gz YZBJRFCNNCBBNQ-XLIONFOSSA-N 3 0 330.520 2.388 20 10 EECDRP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001035051927 783658038 /nfs/dbraw/zinc/65/80/38/783658038.db2.gz AHTZQKNNUPTRTK-MSOLQXFVSA-N 2 0 347.503 2.424 20 10 EECDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1 ZINC000817971662 785122097 /nfs/dbraw/zinc/12/20/97/785122097.db2.gz GDDLMAYGFGKYQM-DOMZBBRYSA-N 2 0 331.382 2.187 20 10 EECDRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1O ZINC000817974138 785125594 /nfs/dbraw/zinc/12/55/94/785125594.db2.gz ZHCZDBAANRELSA-IINYFYTJSA-N 2 0 335.345 2.018 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)CC(C)(C)C3)cc2)CC1 ZINC000825091474 788438190 /nfs/dbraw/zinc/43/81/90/788438190.db2.gz ZYMQZIUJUAWFHR-IBGZPJMESA-N 2 0 331.504 2.421 20 10 EECDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)CCCO4)C2)CC1 ZINC000921732734 795639596 /nfs/dbraw/zinc/63/95/96/795639596.db2.gz JKEPTHZFAQPUTN-GOSISDBHSA-N 2 0 329.488 2.270 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)CCC[NH+]2CCCC2)cc1C ZINC001176884498 798613062 /nfs/dbraw/zinc/61/30/62/798613062.db2.gz KMTRCPIMMUFRJH-UHFFFAOYSA-N 2 0 347.503 2.476 20 10 EECDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(OC)ccc1O ZINC000289519435 464082680 /nfs/dbraw/zinc/08/26/80/464082680.db2.gz VFTHCTFSFMPKDK-QGZVFWFLSA-N 2 0 335.492 2.249 20 10 EECDRP Cc1cc(Br)cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1O ZINC000271842327 464393782 /nfs/dbraw/zinc/39/37/82/464393782.db2.gz QZCJTDAHIKNIGV-UHFFFAOYSA-N 2 0 343.265 2.009 20 10 EECDRP COc1cccc(O)c1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000769538852 577580124 /nfs/dbraw/zinc/58/01/24/577580124.db2.gz YIKPOJYUODKFTC-UHFFFAOYSA-N 2 0 347.503 2.391 20 10 EECDRP COc1cccc(O)c1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000769538110 577580169 /nfs/dbraw/zinc/58/01/69/577580169.db2.gz RSWWOYHLMGKFMT-UHFFFAOYSA-N 2 0 347.503 2.391 20 10 EECDRP Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC000811517993 1200103946 /nfs/dbraw/zinc/10/39/46/1200103946.db2.gz GMPPPGBHYXIRFZ-FQEVSTJZSA-N 2 0 339.487 2.390 20 10 EECDRP CCN(CC)c1ccc(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001275833706 1205556437 /nfs/dbraw/zinc/55/64/37/1205556437.db2.gz POUYUBHMRSFJLP-UHFFFAOYSA-N 2 0 330.520 2.212 20 10 EECDRP COc1ccc(Br)c(C[NH+]2CCC(F)(C[NH3+])CC2)c1O ZINC001222543482 1299671449 /nfs/dbraw/zinc/67/14/49/1299671449.db2.gz VYJQJYKEASKGMI-UHFFFAOYSA-N 2 0 347.228 2.426 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@]3(C)CCO[C@@H]3C3CC3)cc2)CC1 ZINC000784688272 1304527556 /nfs/dbraw/zinc/52/75/56/1304527556.db2.gz UJJVMYYPXMHGHV-WOJBJXKFSA-N 2 0 329.488 2.486 20 10 EECDRP CCOC(=O)[C@H]1CCCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236037244 1305479780 /nfs/dbraw/zinc/47/97/80/1305479780.db2.gz FDWIGTYQEKWPFS-SFHVURJKSA-N 2 0 345.487 2.261 20 10 EECDRP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@]1(C)CCC[NH2+]C1 ZINC001236204559 1305533257 /nfs/dbraw/zinc/53/32/57/1305533257.db2.gz BMZFUQMPZBBOQR-LJQANCHMSA-N 2 0 334.483 2.151 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CCC[C@H]([NH2+]C4CC4)C3)cc2)CC1 ZINC001236217646 1305537385 /nfs/dbraw/zinc/53/73/85/1305537385.db2.gz DIFQUEOZPHPLRR-IBGZPJMESA-N 2 0 328.504 2.155 20 10 EECDRP CCc1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001236788864 1305677053 /nfs/dbraw/zinc/67/70/53/1305677053.db2.gz RREKLHIIHHKJBQ-UHFFFAOYSA-N 2 0 331.504 2.414 20 10 EECDRP CCN(CC)c1ccc(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001236931564 1305733747 /nfs/dbraw/zinc/73/37/47/1305733747.db2.gz GDVFUZLCKODBGZ-IBGZPJMESA-N 2 0 348.535 2.354 20 10 EECDRP Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001139132607 1314709083 /nfs/dbraw/zinc/70/90/83/1314709083.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 2 0 328.412 2.335 20 10 EECDRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)cc(C[NH+](C)C)c1O ZINC001139256495 1314721833 /nfs/dbraw/zinc/72/18/33/1314721833.db2.gz DKUMCAQRYYSNGA-UHFFFAOYSA-N 3 0 335.492 2.236 20 10 EECDRP COc1cc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139260673 1314722749 /nfs/dbraw/zinc/72/27/49/1314722749.db2.gz OTDQPAFMFRWVHV-HNNXBMFYSA-N 2 0 335.492 2.377 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC(=O)[C@@H]4C3)cc2)CC1 ZINC001139411224 1314741103 /nfs/dbraw/zinc/74/11/03/1314741103.db2.gz AJOXRLVWOZCYIX-PKOBYXMFSA-N 2 0 327.472 2.239 20 10 EECDRP COc1cc(O)c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)c(OC)c1 ZINC001141029639 1315020716 /nfs/dbraw/zinc/02/07/16/1315020716.db2.gz YPZPPCRLIVHKGN-AWEZNQCLSA-N 2 0 330.384 2.458 20 10 EECDRP COc1cc(Br)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1O ZINC000841037555 1315459955 /nfs/dbraw/zinc/45/99/55/1315459955.db2.gz VKVFKSPIUXTCAM-SNVBAGLBSA-N 2 0 329.238 2.253 20 10 EECDRP Fc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC000843043864 1315827509 /nfs/dbraw/zinc/82/75/09/1315827509.db2.gz MNMWKVWBOMHVSD-UHFFFAOYSA-N 2 0 333.451 2.379 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1C ZINC000843058125 1315831651 /nfs/dbraw/zinc/83/16/51/1315831651.db2.gz PVGHHFRMBFJHQB-FUHWJXTLSA-N 2 0 345.487 2.089 20 10 EECDRP CCOc1cccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1O ZINC001203615721 1321923935 /nfs/dbraw/zinc/92/39/35/1321923935.db2.gz ZAHUUASGQPXERH-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001263260076 1322448713 /nfs/dbraw/zinc/44/87/13/1322448713.db2.gz PYYUAVOKTWQNNI-MSOLQXFVSA-N 2 0 334.508 2.235 20 10 EECDRP C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001325321793 1333863421 /nfs/dbraw/zinc/86/34/21/1333863421.db2.gz ZSHNLKQWJBIVLT-NVXWUHKLSA-N 2 0 334.483 2.055 20 10 EECDRP C[NH2+]CC1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001332338320 1335805254 /nfs/dbraw/zinc/80/52/54/1335805254.db2.gz COKFPAIITLNBRX-UHFFFAOYSA-N 2 0 334.483 2.009 20 10 EECDRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001336924004 1336617557 /nfs/dbraw/zinc/61/75/57/1336617557.db2.gz RTRQVHVRDJKIKE-YJBOKZPZSA-N 2 0 349.523 2.172 20 10 EECDRP CN(C)c1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC001336944461 1336620702 /nfs/dbraw/zinc/62/07/02/1336620702.db2.gz ANFHRWXPZKRBMA-UHFFFAOYSA-N 2 0 345.516 2.251 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1C ZINC001661342459 1354629521 /nfs/dbraw/zinc/62/95/21/1354629521.db2.gz QIXYXQAAVLMEDD-KRWDZBQOSA-N 2 0 333.476 2.036 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001035125809 783848032 /nfs/dbraw/zinc/84/80/32/783848032.db2.gz OODDAOLAYXTFOE-ZWKOTPCHSA-N 2 0 345.487 2.036 20 10 EECDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893791 785048062 /nfs/dbraw/zinc/04/80/62/785048062.db2.gz HXZUXQSHIIBVID-JXFKEZNVSA-N 2 0 331.504 2.373 20 10 EECDRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000817974027 785125331 /nfs/dbraw/zinc/12/53/31/785125331.db2.gz XKSDCTBOOIPGIE-BBRMVZONSA-N 2 0 344.425 2.239 20 10 EECDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1O ZINC000183405192 464860971 /nfs/dbraw/zinc/86/09/71/464860971.db2.gz MSRSCYWARAFXCC-OAHLLOKOSA-N 2 0 326.444 2.390 20 10 EECDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768445863 577555967 /nfs/dbraw/zinc/55/59/67/577555967.db2.gz IQZPYFOYHZKNEO-GOSISDBHSA-N 2 0 334.460 2.370 20 10 EECDRP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)cc1C ZINC000768463456 577556269 /nfs/dbraw/zinc/55/62/69/577556269.db2.gz UDOUAHQHKQWKIC-GPMSIDNRSA-N 2 0 334.460 2.393 20 10 EECDRP COc1cc(C)cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1O ZINC000894767116 683081610 /nfs/dbraw/zinc/08/16/10/683081610.db2.gz SOFRVMJKVYQBJY-UHFFFAOYSA-N 2 0 347.503 2.169 20 10 EECDRP COc1cccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1O ZINC000865708009 1198341237 /nfs/dbraw/zinc/34/12/37/1198341237.db2.gz FYISYYVBXWJXBM-UHFFFAOYSA-N 2 0 328.416 2.160 20 10 EECDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873015688 1198475192 /nfs/dbraw/zinc/47/51/92/1198475192.db2.gz UDWCVHQFRHIDMN-KRWDZBQOSA-N 2 0 328.460 2.371 20 10 EECDRP COc1ccc(C[NH2+]CC2=CC[N@H+](C)CC2)cc1Cn1cccn1 ZINC000873101493 1198500281 /nfs/dbraw/zinc/50/02/81/1198500281.db2.gz VYZMKBSNCYVYML-UHFFFAOYSA-N 2 0 326.444 2.292 20 10 EECDRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nccn1C ZINC000883290018 1202041140 /nfs/dbraw/zinc/04/11/40/1202041140.db2.gz IHHCUBCAUOWWAI-GOSISDBHSA-N 2 0 327.476 2.413 20 10 EECDRP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1C ZINC000961641438 1217256682 /nfs/dbraw/zinc/25/66/82/1217256682.db2.gz NYOCGJBRHMUUBP-DAWZGUTISA-N 2 0 345.487 2.082 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1C ZINC001019383152 1229054350 /nfs/dbraw/zinc/05/43/50/1229054350.db2.gz XOJCFUBKSRPLBF-YJBOKZPZSA-N 2 0 345.487 2.036 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001019655533 1229236322 /nfs/dbraw/zinc/23/63/22/1229236322.db2.gz TVJYIXWHFURRKW-MSOLQXFVSA-N 2 0 345.487 2.036 20 10 EECDRP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[NH+]2CCCC2)cc1C ZINC001045312060 1233658256 /nfs/dbraw/zinc/65/82/56/1233658256.db2.gz VKZXINVSIBOQBE-SFHVURJKSA-N 2 0 345.487 2.180 20 10 EECDRP CCCCC[NH+]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001235689769 1305332842 /nfs/dbraw/zinc/33/28/42/1305332842.db2.gz BORATHFSOYNYHB-UHFFFAOYSA-N 2 0 346.519 2.110 20 10 EECDRP CN1CCCc2cc(CN(CC[NH+](C)C)[C@H]3CCC[NH2+]C3)ccc21 ZINC001236923404 1305729366 /nfs/dbraw/zinc/72/93/66/1305729366.db2.gz KDWNUDLVWOLBCV-IBGZPJMESA-N 2 0 330.520 2.185 20 10 EECDRP COc1cc(C[NH+]2CCN(c3cc[nH+]c(C)c3)CC2)c(O)c(OC)c1 ZINC001237682812 1306044328 /nfs/dbraw/zinc/04/43/28/1306044328.db2.gz DKVGRKBMUMJOCB-UHFFFAOYSA-N 2 0 343.427 2.435 20 10 EECDRP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(O)c(OC)c1 ZINC001237683320 1306044539 /nfs/dbraw/zinc/04/45/39/1306044539.db2.gz GOIHPXFHHSXHCC-UHFFFAOYSA-N 2 0 343.427 2.435 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H](c3nc(C)no3)C2)cc(C[NH+](C)C)c1O ZINC001139258937 1314722631 /nfs/dbraw/zinc/72/26/31/1314722631.db2.gz BKCQZRILJLPDCK-CQSZACIVSA-N 2 0 346.431 2.143 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001140306057 1314863506 /nfs/dbraw/zinc/86/35/06/1314863506.db2.gz MRAPFLSQPMCLND-UHFFFAOYSA-N 2 0 345.487 2.167 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(C(=O)OC)C3)cc2)CC1 ZINC001140309368 1314864735 /nfs/dbraw/zinc/86/47/35/1314864735.db2.gz CYUQZEYSBGIEIQ-HXUWFJFHSA-N 2 0 345.487 2.214 20 10 EECDRP Fc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1N1CCOCC1 ZINC000843120169 1315847686 /nfs/dbraw/zinc/84/76/86/1315847686.db2.gz HAGUSJSZSFPJQZ-UHFFFAOYSA-N 2 0 333.451 2.238 20 10 EECDRP CC(C)[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]CC1 ZINC001206597929 1323542589 /nfs/dbraw/zinc/54/25/89/1323542589.db2.gz GLIPBASNFAYRNI-GOSISDBHSA-N 3 0 346.519 2.154 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)C3CCCCC3)cc2)CC1 ZINC001308286662 1331580913 /nfs/dbraw/zinc/58/09/13/1331580913.db2.gz OYEHUJIYEXOXTC-HXUWFJFHSA-N 2 0 331.504 2.469 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428441 1334647622 /nfs/dbraw/zinc/64/76/22/1334647622.db2.gz RDYAAYKDENZYCT-SCTDSRPQSA-N 2 0 346.494 2.137 20 10 EECDRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001336924000 1336617431 /nfs/dbraw/zinc/61/74/31/1336617431.db2.gz RTRQVHVRDJKIKE-MAUKXSAKSA-N 2 0 349.523 2.172 20 10 EECDRP CC(C)C[N@H+](CCN(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809729569 783313506 /nfs/dbraw/zinc/31/35/06/783313506.db2.gz KBRJZZQEFONOCO-UHFFFAOYSA-N 2 0 332.536 2.458 20 10 EECDRP O=C(C[NH2+]Cc1c(O)cccc1Cl)NCC[NH+]1CCCCCC1 ZINC000816620333 784155391 /nfs/dbraw/zinc/15/53/91/784155391.db2.gz QVVDZZDHXIHHMC-UHFFFAOYSA-N 2 0 339.867 2.127 20 10 EECDRP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(OC)c3O)CC2)CC1 ZINC000817414312 784765818 /nfs/dbraw/zinc/76/58/18/784765818.db2.gz WFSADMIPHVRVEG-UHFFFAOYSA-N 2 0 347.503 2.393 20 10 EECDRP C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1C[NH2+]C1 ZINC000817887947 785023710 /nfs/dbraw/zinc/02/37/10/785023710.db2.gz HKFGVBNDHGEFGG-GFCCVEGCSA-N 2 0 343.393 2.240 20 10 EECDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935970 785083316 /nfs/dbraw/zinc/08/33/16/785083316.db2.gz RDTGRIMUYBFZKX-YOEHRIQHSA-N 2 0 339.430 2.409 20 10 EECDRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC000999490078 794592205 /nfs/dbraw/zinc/59/22/05/794592205.db2.gz OKKUUITZIHRQTD-ZWKOTPCHSA-N 2 0 347.503 2.424 20 10 EECDRP CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371471056 465817208 /nfs/dbraw/zinc/81/72/08/465817208.db2.gz QMLJLFKFBOBBKZ-JFIYKMOQSA-N 2 0 334.460 2.474 20 10 EECDRP COC(=O)C1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000771829734 577233116 /nfs/dbraw/zinc/23/31/16/577233116.db2.gz MRAORBZUMGNUOO-UHFFFAOYSA-N 2 0 345.487 2.260 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000775677824 577442546 /nfs/dbraw/zinc/44/25/46/577442546.db2.gz RSESKUSSUZQRHP-OAQYLSRUSA-N 2 0 342.531 2.499 20 10 EECDRP CCOc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1 ZINC000769525572 577579710 /nfs/dbraw/zinc/57/97/10/577579710.db2.gz IPWUDOVPQRTNOM-APWZRJJASA-N 2 0 347.503 2.249 20 10 EECDRP Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883284181 1202040431 /nfs/dbraw/zinc/04/04/31/1202040431.db2.gz HIKGYGNJIZMUJH-UHFFFAOYSA-N 2 0 327.476 2.079 20 10 EECDRP COc1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850127603 1277054148 /nfs/dbraw/zinc/05/41/48/1277054148.db2.gz XEWASCRKMRSAJC-HNNXBMFYSA-N 2 0 349.519 2.424 20 10 EECDRP CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(O)c1 ZINC001276814496 1298458655 /nfs/dbraw/zinc/45/86/55/1298458655.db2.gz ICQLPNWPQGTZRN-CALCHBBNSA-N 2 0 333.476 2.001 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CCCCC34C[NH2+]C4)cc2)CC1 ZINC001235101663 1305115095 /nfs/dbraw/zinc/11/50/95/1305115095.db2.gz IQMFZCIAKFJMDC-UHFFFAOYSA-N 2 0 328.504 2.156 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001235132576 1305125698 /nfs/dbraw/zinc/12/56/98/1305125698.db2.gz IHEMQAIYBFABSA-UHFFFAOYSA-N 3 0 328.504 2.062 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC([C@@H]2CCCC[NH2+]2)CC1 ZINC001235226222 1305156139 /nfs/dbraw/zinc/15/61/39/1305156139.db2.gz AVMSSGFUYXIOBZ-NRFANRHFSA-N 3 0 342.531 2.450 20 10 EECDRP CCOC(=O)[C@]12CN(Cc3ccc(Cl)cc3O)C[C@H]1C[NH2+]CC2 ZINC001236039627 1305482251 /nfs/dbraw/zinc/48/22/51/1305482251.db2.gz WZSQACRDUHTFKH-CXAGYDPISA-N 2 0 338.835 2.020 20 10 EECDRP Nc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)OCC[NH2+]C3)CC2 ZINC001236232725 1305538663 /nfs/dbraw/zinc/53/86/63/1305538663.db2.gz DEDRJCNZRWTLRD-UHFFFAOYSA-N 2 0 325.412 2.015 20 10 EECDRP CC[NH+](CC)[C@@H]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257812 1314723022 /nfs/dbraw/zinc/72/30/22/1314723022.db2.gz GYMQJVUDDLVZDE-QGZVFWFLSA-N 2 0 335.492 2.379 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)CCCOC4)cc2)CC1 ZINC001140302634 1314861232 /nfs/dbraw/zinc/86/12/32/1314861232.db2.gz WIQCTOYWCKKXEN-UHFFFAOYSA-N 2 0 329.488 2.441 20 10 EECDRP CN(C)c1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000843053299 1315830607 /nfs/dbraw/zinc/83/06/07/1315830607.db2.gz UPFMESMIMCTFSL-UHFFFAOYSA-N 2 0 344.425 2.108 20 10 EECDRP C[NH2+]CCC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843057791 1315831490 /nfs/dbraw/zinc/83/14/90/1315831490.db2.gz WBWPLPINMGJOIU-UHFFFAOYSA-N 2 0 335.467 2.484 20 10 EECDRP Fc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843125227 1315849123 /nfs/dbraw/zinc/84/91/23/1315849123.db2.gz OLOKCSYHOUJGNZ-ROUUACIJSA-N 2 0 347.478 2.484 20 10 EECDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001152457723 1316674661 /nfs/dbraw/zinc/67/46/61/1316674661.db2.gz HNDLSOGMJGGNSB-KRWDZBQOSA-N 2 0 333.476 2.084 20 10 EECDRP CC(C)(C)OC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccccc2O)CC1 ZINC001253480388 1317868630 /nfs/dbraw/zinc/86/86/30/1317868630.db2.gz GMKBABFJWBTJNU-KRWDZBQOSA-N 2 0 336.476 2.122 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001157435076 1318638869 /nfs/dbraw/zinc/63/88/69/1318638869.db2.gz RGRDMVBKZCDFOY-AEFFLSMTSA-N 2 0 345.487 2.076 20 10 EECDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(C(F)(F)F)cc1O)C2 ZINC001276505438 1323824739 /nfs/dbraw/zinc/82/47/39/1323824739.db2.gz NFGVQBPCVUKYTK-UHFFFAOYSA-N 2 0 343.393 2.090 20 10 EECDRP CCc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1O ZINC000848893612 1338795824 /nfs/dbraw/zinc/79/58/24/1338795824.db2.gz YDUYZKVYNRQVJU-UHFFFAOYSA-N 2 0 340.471 2.391 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)cc2)CC1 ZINC000809767573 783339501 /nfs/dbraw/zinc/33/95/01/783339501.db2.gz ONCAQXZWFDZUSO-PZJWPPBQSA-N 3 0 342.531 2.355 20 10 EECDRP Cc1cccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c1O ZINC000181336962 464473630 /nfs/dbraw/zinc/47/36/30/464473630.db2.gz HFAQFRAJHOZVRO-UHFFFAOYSA-N 2 0 341.455 2.282 20 10 EECDRP C[NH+](C)CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775652971 577441936 /nfs/dbraw/zinc/44/19/36/577441936.db2.gz XTAWKBGKABPOKM-UHFFFAOYSA-N 3 0 330.520 2.212 20 10 EECDRP Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000763332889 577719298 /nfs/dbraw/zinc/71/92/98/577719298.db2.gz OPBMLKVAVJICKU-HKUYNNGSSA-N 2 0 331.504 2.467 20 10 EECDRP CC[NH+]1CCN(c2ccc(CNc3nc(N)cc(C)[nH+]3)cc2F)CC1 ZINC000892402865 679628645 /nfs/dbraw/zinc/62/86/45/679628645.db2.gz TWMHLKGZPVLXOH-UHFFFAOYSA-N 2 0 344.438 2.260 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3COCC3(C)C)cc2F)CC1 ZINC000894234172 681411441 /nfs/dbraw/zinc/41/14/41/681411441.db2.gz REFXQCSPNIWYIX-GOSISDBHSA-N 2 0 335.467 2.482 20 10 EECDRP COc1cc(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1O ZINC000841032425 691684894 /nfs/dbraw/zinc/68/48/94/691684894.db2.gz DTJYFPCZLDBLMX-JTQLQIEISA-N 2 0 329.238 2.253 20 10 EECDRP Oc1cc(O)c(C[NH+]2CCC3(C[NH+](Cc4ccc[nH]4)C3)CC2)c(O)c1 ZINC001275112953 1205259005 /nfs/dbraw/zinc/25/90/05/1205259005.db2.gz UWXHRNSGAHDTJP-UHFFFAOYSA-N 2 0 343.427 2.230 20 10 EECDRP Cc1cc(C)c(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c(O)c1 ZINC001276365618 1217280915 /nfs/dbraw/zinc/28/09/15/1217280915.db2.gz SZVMIMFZZHCFMN-UHFFFAOYSA-N 2 0 331.504 2.468 20 10 EECDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001019394514 1229064933 /nfs/dbraw/zinc/06/49/33/1229064933.db2.gz KDFDTFODQMYDBT-IRXDYDNUSA-N 2 0 333.476 2.034 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001000926905 1241224112 /nfs/dbraw/zinc/22/41/12/1241224112.db2.gz KQZZYMGSJGZECK-ROUUACIJSA-N 2 0 345.487 2.036 20 10 EECDRP CN(C)c1cc(F)c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1F ZINC000858133472 1294016677 /nfs/dbraw/zinc/01/66/77/1294016677.db2.gz QSXILXGOKIIJCT-HNNXBMFYSA-N 2 0 341.446 2.357 20 10 EECDRP CN(CCC[NH2+]Cc1c(O)cccc1Br)CC[NH+](C)C ZINC000858196499 1294042111 /nfs/dbraw/zinc/04/21/11/1294042111.db2.gz RKGWFFCONHJGOR-UHFFFAOYSA-N 2 0 344.297 2.128 20 10 EECDRP c1cc(N2CCCCC2)ccc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091410 1299342527 /nfs/dbraw/zinc/34/25/27/1299342527.db2.gz TXSSMDYLLXBEDZ-UHFFFAOYSA-N 2 0 328.504 2.204 20 10 EECDRP COC(=O)c1c(C[NH+]2CCC(F)(C[NH3+])CC2)c2ccccc2n1C ZINC001222542534 1299670361 /nfs/dbraw/zinc/67/03/61/1299670361.db2.gz GXOWHUUMJDWUHE-UHFFFAOYSA-N 2 0 333.407 2.228 20 10 EECDRP CCN(Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@@H]1CCC[NH2+]C1 ZINC001236009964 1305476234 /nfs/dbraw/zinc/47/62/34/1305476234.db2.gz OUEUETLFTNYWJH-GOSISDBHSA-N 2 0 334.483 2.151 20 10 EECDRP CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)ccc2O1 ZINC001236077978 1305494129 /nfs/dbraw/zinc/49/41/29/1305494129.db2.gz BMPZKNYCCCHKRC-MRXNPFEDSA-N 2 0 343.471 2.184 20 10 EECDRP Fc1cc(N2CCOCC2)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319973 1305559791 /nfs/dbraw/zinc/55/97/91/1305559791.db2.gz JEAPCBIBSRAOLL-IYBDPMFKSA-N 2 0 333.451 2.094 20 10 EECDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CC[C@H](O)CC1 ZINC001236937316 1305737144 /nfs/dbraw/zinc/73/71/44/1305737144.db2.gz ZAIXXSRNTFUZDO-SAABIXHNSA-N 2 0 335.467 2.313 20 10 EECDRP C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938139 1305737791 /nfs/dbraw/zinc/73/77/91/1305737791.db2.gz KAASYBBISIHQKR-PXNSSMCTSA-N 2 0 346.494 2.104 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCO4)CC3)c(F)c2)CC1 ZINC001236940050 1305739708 /nfs/dbraw/zinc/73/97/08/1305739708.db2.gz WFZRIWPZEQUXOZ-UHFFFAOYSA-N 2 0 333.451 2.332 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC([NH+]4CCC(F)CC4)C3)cc2)CC1 ZINC001139413565 1314741486 /nfs/dbraw/zinc/74/14/86/1314741486.db2.gz XAAITOXKRBJAJS-UHFFFAOYSA-N 2 0 346.494 2.057 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)cc2)CC1 ZINC001140301837 1314860108 /nfs/dbraw/zinc/86/01/08/1314860108.db2.gz AVUSOSFQIWHVQA-QUCCMNQESA-N 2 0 329.488 2.439 20 10 EECDRP C[NH+]1CCC(C[NH+]2CCN(Cc3cc(F)c(F)cc3O)CC2)CC1 ZINC001142531266 1315652518 /nfs/dbraw/zinc/65/25/18/1315652518.db2.gz QZJNAFDWAYWFJM-UHFFFAOYSA-N 2 0 339.430 2.130 20 10 EECDRP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001157434209 1318638049 /nfs/dbraw/zinc/63/80/49/1318638049.db2.gz NIXMUEIHPRRJJG-WMLDXEAASA-N 2 0 333.476 2.205 20 10 EECDRP CN(C)c1ccc(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001203937125 1321994943 /nfs/dbraw/zinc/99/49/43/1321994943.db2.gz LWMFJLJRLWKERY-UHFFFAOYSA-N 2 0 330.520 2.212 20 10 EECDRP CCC[NH+](CCC)CCN1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204280019 1322103254 /nfs/dbraw/zinc/10/32/54/1322103254.db2.gz JFZKKTSPSFJFBC-UHFFFAOYSA-N 2 0 335.492 2.337 20 10 EECDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205240021 1322326954 /nfs/dbraw/zinc/32/69/54/1322326954.db2.gz GQZQRRCMSDVAPT-HNNXBMFYSA-N 2 0 343.265 2.139 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206622526 1323549186 /nfs/dbraw/zinc/54/91/86/1323549186.db2.gz DYKKZLKLMMKJSS-IBGZPJMESA-N 3 0 330.520 2.389 20 10 EECDRP Cc1c(C[NH+]2CC3(CN(CC[NH+](C)C)C3)C2)c2ccccc2n1C ZINC001276555672 1324318138 /nfs/dbraw/zinc/31/81/38/1324318138.db2.gz CQFRUQNUPYDIRB-UHFFFAOYSA-N 2 0 326.488 2.166 20 10 EECDRP C[C@@H]1CCCN(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308199732 1331572180 /nfs/dbraw/zinc/57/21/80/1331572180.db2.gz ONBJKSSSXMKKJY-GOSISDBHSA-N 2 0 330.520 2.260 20 10 EECDRP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676233 1334141423 /nfs/dbraw/zinc/14/14/23/1334141423.db2.gz PYGJJRWESMRIGL-QZTJIDSGSA-N 2 0 332.492 2.133 20 10 EECDRP COc1ccc(C[NH2+]C2CC(CNC(=O)CCC[NH+](C)C)C2)cc1C ZINC001100619806 1338557050 /nfs/dbraw/zinc/55/70/50/1338557050.db2.gz JDFSLRQBTPFDQA-UHFFFAOYSA-N 2 0 347.503 2.330 20 10 EECDRP Oc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1O ZINC001167958534 781194224 /nfs/dbraw/zinc/19/42/24/781194224.db2.gz GYLONRSXSWYTID-IHBAFOEMSA-N 2 0 332.444 2.126 20 10 EECDRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809723915 783337001 /nfs/dbraw/zinc/33/70/01/783337001.db2.gz BEZRQCGDLDLHDW-GHTZIAJQSA-N 2 0 342.531 2.497 20 10 EECDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000817888817 785023966 /nfs/dbraw/zinc/02/39/66/785023966.db2.gz PBXKMEFHSTYOTN-QGTPRVQTSA-N 2 0 335.517 2.082 20 10 EECDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)CC[NH2+]CC1 ZINC000817894849 785049670 /nfs/dbraw/zinc/04/96/70/785049670.db2.gz QTIVHDURNDHTIL-MRXNPFEDSA-N 2 0 347.503 2.472 20 10 EECDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1C ZINC000817971831 785122245 /nfs/dbraw/zinc/12/22/45/785122245.db2.gz HPDJSAVYGYCGNX-DZGCQCFKSA-N 2 0 345.409 2.496 20 10 EECDRP Cc1cc(O)c(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000825246504 788534026 /nfs/dbraw/zinc/53/40/26/788534026.db2.gz BERFQJSSXBIMHS-ZDUSSCGKSA-N 2 0 339.867 2.031 20 10 EECDRP CCOc1cccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c1O ZINC000825275426 788565561 /nfs/dbraw/zinc/56/55/61/788565561.db2.gz MOLZFMYSCDRFFU-UHFFFAOYSA-N 2 0 335.492 2.297 20 10 EECDRP CC(C)[C@H](C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000844163293 788880705 /nfs/dbraw/zinc/88/07/05/788880705.db2.gz XKJTVYVZPCUVGI-RTBURBONSA-N 2 0 346.519 2.379 20 10 EECDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921686387 794831508 /nfs/dbraw/zinc/83/15/08/794831508.db2.gz RYGZGFMWFQSVEY-QGZVFWFLSA-N 2 0 331.504 2.375 20 10 EECDRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000151560074 463552407 /nfs/dbraw/zinc/55/24/07/463552407.db2.gz IPZVKBQDRSBWTK-LPHOPBHVSA-N 2 0 331.504 2.468 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)cc1C ZINC000768466312 577556538 /nfs/dbraw/zinc/55/65/38/577556538.db2.gz YMILOJYCPOTOTA-SJLPKXTDSA-N 2 0 347.503 2.167 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1C ZINC000968988871 1221721628 /nfs/dbraw/zinc/72/16/28/1221721628.db2.gz CPOUUNFPKDHHGP-MJGOQNOKSA-N 2 0 347.503 2.280 20 10 EECDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001186834081 1279233013 /nfs/dbraw/zinc/23/30/13/1279233013.db2.gz LFANQEGTMVQNBJ-QGZVFWFLSA-N 2 0 333.476 2.036 20 10 EECDRP CN(C)c1ncccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001119440268 1309073242 /nfs/dbraw/zinc/07/32/42/1309073242.db2.gz FJLRGFBFQYAGEE-UHFFFAOYSA-N 2 0 339.487 2.189 20 10 EECDRP CCC[NH+]1C[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001138499766 1314622834 /nfs/dbraw/zinc/62/28/34/1314622834.db2.gz IHPDRAYJRYXBHU-OALUTQOASA-N 2 0 329.488 2.297 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCC(=O)O4)CC3)cc2)CC1 ZINC001139409727 1314741157 /nfs/dbraw/zinc/74/11/57/1314741157.db2.gz QNSQONJEMBMNHG-UHFFFAOYSA-N 2 0 343.471 2.110 20 10 EECDRP C[N@@H+](Cc1ccc(N2CCOCC2)cc1F)CC1CC[NH+](C)CC1 ZINC001140661886 1314924284 /nfs/dbraw/zinc/92/42/84/1314924284.db2.gz WRLPXUPIUOYKFN-UHFFFAOYSA-N 2 0 335.467 2.436 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1O ZINC000841061525 1315465368 /nfs/dbraw/zinc/46/53/68/1315465368.db2.gz JQIUTPZJQCIPHO-BXKDBHETSA-N 2 0 329.238 2.393 20 10 EECDRP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841099993 1315475217 /nfs/dbraw/zinc/47/52/17/1315475217.db2.gz RFHNTRVQKQEPKS-LJQANCHMSA-N 2 0 342.491 2.420 20 10 EECDRP COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125424 1315849319 /nfs/dbraw/zinc/84/93/19/1315849319.db2.gz WEIKMLITNRSFKU-CYBMUJFWSA-N 2 0 340.851 2.242 20 10 EECDRP Cc1cnc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c(C[NH3+])c1 ZINC001156658014 1318143300 /nfs/dbraw/zinc/14/33/00/1318143300.db2.gz QUGMZESWKOXRKT-UHFFFAOYSA-N 2 0 325.460 2.213 20 10 EECDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323738570 1333528686 /nfs/dbraw/zinc/52/86/86/1333528686.db2.gz AWVGAFWYLVRDAI-SFHVURJKSA-N 2 0 348.510 2.397 20 10 EECDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893793 785048782 /nfs/dbraw/zinc/04/87/82/785048782.db2.gz HXZUXQSHIIBVID-OXQOHEQNSA-N 2 0 331.504 2.373 20 10 EECDRP C[C@@H]([NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000817899960 785055263 /nfs/dbraw/zinc/05/52/63/785055263.db2.gz NRAMNLUEOLVWBB-OCCSQVGLSA-N 2 0 325.403 2.454 20 10 EECDRP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940417 785086716 /nfs/dbraw/zinc/08/67/16/785086716.db2.gz GTLTXWOSPKMKER-BFUOFWGJSA-N 2 0 327.476 2.265 20 10 EECDRP Cc1cc(O)c(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000825247528 788534098 /nfs/dbraw/zinc/53/40/98/788534098.db2.gz UEONOYLGTHMHLS-ZDUSSCGKSA-N 2 0 325.884 2.327 20 10 EECDRP COc1cccc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000846148099 790074637 /nfs/dbraw/zinc/07/46/37/790074637.db2.gz XBXJOOFEDAXNMM-CABCVRRESA-N 2 0 333.476 2.220 20 10 EECDRP COc1cc(Cl)cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000289437715 464079341 /nfs/dbraw/zinc/07/93/41/464079341.db2.gz LNXSOIBNKWWMDH-UHFFFAOYSA-N 2 0 341.883 2.124 20 10 EECDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435240 464583535 /nfs/dbraw/zinc/58/35/35/464583535.db2.gz NCUNLNFCWDHHLC-AZUAARDMSA-N 2 0 329.488 2.439 20 10 EECDRP C[NH+](C)CCCC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768464890 577556468 /nfs/dbraw/zinc/55/64/68/577556468.db2.gz FXBFHCSEOFIMCW-GOSISDBHSA-N 2 0 334.460 2.372 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)cc1C ZINC000768466311 577556484 /nfs/dbraw/zinc/55/64/84/577556484.db2.gz YMILOJYCPOTOTA-FUHWJXTLSA-N 2 0 347.503 2.167 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc4nccn43)cc2)CC1 ZINC000883283446 1202040557 /nfs/dbraw/zinc/04/05/57/1202040557.db2.gz FURVDNMXBRUBHO-UHFFFAOYSA-N 2 0 335.455 2.376 20 10 EECDRP COc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001275270163 1205295150 /nfs/dbraw/zinc/29/51/50/1205295150.db2.gz FYIJWFCZXFWERN-FQEVSTJZSA-N 2 0 347.503 2.250 20 10 EECDRP C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001275952598 1205600339 /nfs/dbraw/zinc/60/03/39/1205600339.db2.gz IRVHKXVGISCVHU-FQEVSTJZSA-N 2 0 347.503 2.337 20 10 EECDRP CC[NH+](CC)CCCN1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203627739 1278831015 /nfs/dbraw/zinc/83/10/15/1278831015.db2.gz MRMMQJXRRFLJBJ-UHFFFAOYSA-N 2 0 335.492 2.250 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001211284873 1295799364 /nfs/dbraw/zinc/79/93/64/1295799364.db2.gz OGCPSELFEGGAAL-GOSISDBHSA-N 2 0 347.503 2.424 20 10 EECDRP CC(C)[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[NH2+]1 ZINC001235474895 1305246078 /nfs/dbraw/zinc/24/60/78/1305246078.db2.gz IPKBMAJPPOEDCB-IBGZPJMESA-N 2 0 334.483 2.007 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCO4)C3)c(F)c2)CC1 ZINC001236939512 1305739723 /nfs/dbraw/zinc/73/97/23/1305739723.db2.gz RTDLXOLHLPXDCI-IBGZPJMESA-N 2 0 333.451 2.332 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)c(F)c2)CC1 ZINC001236948897 1305742364 /nfs/dbraw/zinc/74/23/64/1305742364.db2.gz YDKSAIUAPOZVHV-FXAWDEMLSA-N 2 0 346.494 2.104 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237386879 1305913495 /nfs/dbraw/zinc/91/34/95/1305913495.db2.gz BAHRYIZDUPJNKG-ICSRJNTNSA-N 3 0 328.504 2.012 20 10 EECDRP COc1cc(CN2CCC([NH+]3CCC3)CC2)cc(C[NH+](C)C)c1O ZINC001139261091 1314722715 /nfs/dbraw/zinc/72/27/15/1314722715.db2.gz ULWMRDXMZUNJJO-UHFFFAOYSA-N 2 0 333.476 2.133 20 10 EECDRP COc1cc(CN2CC[NH+](C(C)(C)C)CC2)cc(C[NH+](C)C)c1O ZINC001139257742 1314722931 /nfs/dbraw/zinc/72/29/31/1314722931.db2.gz GGDRPFNXZCUEQQ-UHFFFAOYSA-N 2 0 335.492 2.379 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@](O)(CF)C3)cc2)CC1 ZINC001139409291 1314740719 /nfs/dbraw/zinc/74/07/19/1314740719.db2.gz ZPFBYOOQAPMZNW-LJQANCHMSA-N 2 0 335.467 2.125 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)C3CCN(C)CC3)cc2)CC1 ZINC001140299742 1314858701 /nfs/dbraw/zinc/85/87/01/1314858701.db2.gz DVSHJKBRWQXUHA-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000839563765 1315215709 /nfs/dbraw/zinc/21/57/09/1315215709.db2.gz NRQZDCJRLXPPBW-MRXNPFEDSA-N 2 0 346.519 2.392 20 10 EECDRP COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000840975719 1315449365 /nfs/dbraw/zinc/44/93/65/1315449365.db2.gz QIFNFLIKPIFRKD-FQEVSTJZSA-N 2 0 345.487 2.214 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1O ZINC000841084623 1315470928 /nfs/dbraw/zinc/47/09/28/1315470928.db2.gz MBXRMDSUKQQDOP-CABZTGNLSA-N 2 0 329.238 2.380 20 10 EECDRP CCOC(=O)c1c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205145886 1322297770 /nfs/dbraw/zinc/29/77/70/1322297770.db2.gz LLCWVWMWQLMYQW-UONOGXRCSA-N 2 0 329.444 2.382 20 10 EECDRP CCN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001308264676 1331579872 /nfs/dbraw/zinc/57/98/72/1331579872.db2.gz QYBMQGFXLUQKSO-FQEVSTJZSA-N 2 0 330.520 2.402 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3CC[NH3+])cc2F)CC1 ZINC001326520183 1334108666 /nfs/dbraw/zinc/10/86/66/1334108666.db2.gz YBZWFMLMPKCIIB-KRWDZBQOSA-N 3 0 334.483 2.281 20 10 EECDRP C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC001578413447 1403751161 /nfs/dbraw/zinc/75/11/61/1403751161.db2.gz OLTILORXDAWMME-KRWDZBQOSA-N 2 0 335.451 2.465 20 10 EECDRP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809696959 783283215 /nfs/dbraw/zinc/28/32/15/783283215.db2.gz AXWLFGAVDMNBHD-GBMAXXPESA-N 2 0 341.499 2.294 20 10 EECDRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765208 783370320 /nfs/dbraw/zinc/37/03/20/783370320.db2.gz LJXZUUGRXCLWBL-PXNSSMCTSA-N 2 0 330.520 2.210 20 10 EECDRP COc1ccc(N2CCC([NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CC2)cc1 ZINC000817903965 785058742 /nfs/dbraw/zinc/05/87/42/785058742.db2.gz YKARQWVEEZRJEG-NIKGAXFTSA-N 2 0 333.476 2.006 20 10 EECDRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)ccc1O ZINC000817982710 785130382 /nfs/dbraw/zinc/13/03/82/785130382.db2.gz VPYNRVFTQVFEBO-PWSUYJOCSA-N 2 0 329.238 2.184 20 10 EECDRP C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000824445481 788173857 /nfs/dbraw/zinc/17/38/57/788173857.db2.gz ASWBRRPJDIUKLR-SFHVURJKSA-N 2 0 342.531 2.355 20 10 EECDRP CN(C)c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000289460414 464080280 /nfs/dbraw/zinc/08/02/80/464080280.db2.gz OGVSGEGZLOZMGZ-UHFFFAOYSA-N 2 0 336.499 2.350 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000891246883 676240263 /nfs/dbraw/zinc/24/02/63/676240263.db2.gz QRAKYHKBFJRKOU-ZWKOTPCHSA-N 2 0 346.519 2.344 20 10 EECDRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000128067200 693145445 /nfs/dbraw/zinc/14/54/45/693145445.db2.gz JLGFAKCAABLLJK-HKUYNNGSSA-N 2 0 346.519 2.381 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H](O)C3CCCC3)cc2)CC1 ZINC000865874502 1198410491 /nfs/dbraw/zinc/41/04/91/1198410491.db2.gz FLUPJOFUEOCJDL-FQEVSTJZSA-N 2 0 331.504 2.469 20 10 EECDRP C[C@@H](C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000876945633 1199826618 /nfs/dbraw/zinc/82/66/18/1199826618.db2.gz HCTNQOMPKSGHTM-KRWDZBQOSA-N 2 0 331.504 2.469 20 10 EECDRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CN1C1CC1 ZINC000883283516 1202040465 /nfs/dbraw/zinc/04/04/65/1202040465.db2.gz IIQFCABADNPYPQ-WMZOPIPTSA-N 2 0 328.504 2.153 20 10 EECDRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289759 1202041199 /nfs/dbraw/zinc/04/11/99/1202041199.db2.gz ZOXKRTZJIWNTJN-HNNXBMFYSA-N 2 0 327.476 2.331 20 10 EECDRP COc1ccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c(O)c1 ZINC001275275347 1205295319 /nfs/dbraw/zinc/29/53/19/1205295319.db2.gz HSNYGKQSZPHVKA-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1C ZINC001019381258 1229051040 /nfs/dbraw/zinc/05/10/40/1229051040.db2.gz CTYAPOUGKIZNFP-AEFFLSMTSA-N 2 0 345.487 2.178 20 10 EECDRP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000902518401 1237776820 /nfs/dbraw/zinc/77/68/20/1237776820.db2.gz QKWSCHMYZVLIEV-GNBUJSLZSA-N 2 0 330.520 2.333 20 10 EECDRP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)C1CC[NH+](C)CC1 ZINC000850567164 1277268161 /nfs/dbraw/zinc/26/81/61/1277268161.db2.gz XQLUZNUXIHOJPF-INIZCTEOSA-N 2 0 331.504 2.468 20 10 EECDRP Fc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc(F)c1N1CCOCC1 ZINC000817936275 1277899116 /nfs/dbraw/zinc/89/91/16/1277899116.db2.gz RHDUSXFAYXSSLJ-CQSZACIVSA-N 2 0 325.403 2.033 20 10 EECDRP [NH3+]CC1(F)CC[NH+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001222538389 1299668233 /nfs/dbraw/zinc/66/82/33/1299668233.db2.gz MNONLOHGHIPWNI-UHFFFAOYSA-N 2 0 333.451 2.354 20 10 EECDRP COc1cc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc(C[NH+](C)C)c1O ZINC001276861225 1299968585 /nfs/dbraw/zinc/96/85/85/1299968585.db2.gz OKDBDDWWUUDHFJ-UHFFFAOYSA-N 2 0 347.503 2.380 20 10 EECDRP c1c(C[N@@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235039469 1305094824 /nfs/dbraw/zinc/09/48/24/1305094824.db2.gz ZTHKJUDZOMGQDX-WOJBJXKFSA-N 2 0 341.499 2.196 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(O)CC3)c(F)c2)CC1 ZINC001236933712 1305735088 /nfs/dbraw/zinc/73/50/88/1305735088.db2.gz ZUADFYYVBNYBFO-LJQANCHMSA-N 2 0 335.467 2.314 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+]3[C@@H]4CC[C@H]3CC(=O)C4)c(F)c2)CC1 ZINC001236935071 1305736974 /nfs/dbraw/zinc/73/69/74/1305736974.db2.gz FCDAYJKEPWGWHM-CALCHBBNSA-N 2 0 331.435 2.273 20 10 EECDRP CCCC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236938218 1305737449 /nfs/dbraw/zinc/73/74/49/1305737449.db2.gz HXFORLYLCPJCLX-UHFFFAOYSA-N 2 0 348.510 2.495 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001245421999 1310098597 /nfs/dbraw/zinc/09/85/97/1310098597.db2.gz AYWGKAKRTKPOGV-HXUWFJFHSA-N 2 0 327.472 2.364 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])[NH+](C)C)cc1 ZINC001122328586 1310260982 /nfs/dbraw/zinc/26/09/82/1310260982.db2.gz PWWUZZCFZBXXQV-HBFSDRIKSA-N 2 0 346.519 2.379 20 10 EECDRP CC[NH+](CC)[C@H]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C1 ZINC001139257811 1314722314 /nfs/dbraw/zinc/72/23/14/1314722314.db2.gz GYMQJVUDDLVZDE-KRWDZBQOSA-N 2 0 335.492 2.379 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC([NH+]4CCCCC4)C3)cc2)CC1 ZINC001139412386 1314741642 /nfs/dbraw/zinc/74/16/42/1314741642.db2.gz JHPGYMZAUPDWBU-UHFFFAOYSA-N 2 0 328.504 2.109 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[NH+](C4CCC4)CC3)cc2)CC1 ZINC001140299820 1314858553 /nfs/dbraw/zinc/85/85/53/1314858553.db2.gz GQBDAVHXOGXTPX-UHFFFAOYSA-N 2 0 342.531 2.499 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+](C)Cc3cnn(C)c3)cc2)CC1 ZINC001140301052 1314858576 /nfs/dbraw/zinc/85/85/76/1314858576.db2.gz XDDLENPTPRJBKV-UHFFFAOYSA-N 2 0 327.476 2.194 20 10 EECDRP C[NH+]1CCN(c2ccc(CNc3ccc4c(n3)CC[NH2+]C4)cc2)CC1 ZINC001156656656 1318142023 /nfs/dbraw/zinc/14/20/23/1318142023.db2.gz XRAGRBCEMYQLCC-UHFFFAOYSA-N 2 0 337.471 2.091 20 10 EECDRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001262585277 1322327986 /nfs/dbraw/zinc/32/79/86/1322327986.db2.gz YJFFRDIBILNXBD-AEFFLSMTSA-N 2 0 349.523 2.172 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205617263 1323217833 /nfs/dbraw/zinc/21/78/33/1323217833.db2.gz IQHJZISDLNITDI-ZBFHGGJFSA-N 3 0 335.492 2.269 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205617258 1323218068 /nfs/dbraw/zinc/21/80/68/1323218068.db2.gz IQHJZISDLNITDI-GOEBONIOSA-N 3 0 335.492 2.269 20 10 EECDRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000816642780 784164635 /nfs/dbraw/zinc/16/46/35/784164635.db2.gz KRATTZVVLDIWQU-HXUWFJFHSA-N 2 0 329.488 2.441 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCO)CC3)cc2)CC1 ZINC000817419806 784770095 /nfs/dbraw/zinc/77/00/95/784770095.db2.gz YGSWDCZZVZKGET-SFHVURJKSA-N 2 0 331.504 2.423 20 10 EECDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846144344 790074100 /nfs/dbraw/zinc/07/41/00/790074100.db2.gz IVGZHQLPVLFMBX-HZPDHXFCSA-N 2 0 335.492 2.325 20 10 EECDRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921687094 794987376 /nfs/dbraw/zinc/98/73/76/794987376.db2.gz WXHACALCRMBARX-UHFFFAOYSA-N 2 0 331.504 2.375 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)cc1C ZINC001180226604 800316477 /nfs/dbraw/zinc/31/64/77/800316477.db2.gz CMPYPYNZQWEMLG-WMZOPIPTSA-N 2 0 347.503 2.423 20 10 EECDRP CCOc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1O ZINC000289569853 464084726 /nfs/dbraw/zinc/08/47/26/464084726.db2.gz ZPQFJYYSEUQYFD-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1O ZINC000183424240 464863033 /nfs/dbraw/zinc/86/30/33/464863033.db2.gz LHLDQBUYFNYUKW-OAHLLOKOSA-N 2 0 326.444 2.390 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374254139 467034740 /nfs/dbraw/zinc/03/47/40/467034740.db2.gz LBHQIOYJWUWOKZ-YLJYHZDGSA-N 2 0 330.520 2.210 20 10 EECDRP C[NH+]1CCC(CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877019651 1199846384 /nfs/dbraw/zinc/84/63/84/1199846384.db2.gz BLRZFJYYEKYWHY-UHFFFAOYSA-N 2 0 331.504 2.469 20 10 EECDRP CCOc1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1O ZINC000877747650 1200072397 /nfs/dbraw/zinc/07/23/97/1200072397.db2.gz WCAQBYRZBRZADD-UHFFFAOYSA-N 2 0 333.476 2.003 20 10 EECDRP Oc1ccccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275266759 1205294317 /nfs/dbraw/zinc/29/43/17/1205294317.db2.gz DQCUNGHIESUXKF-CALCHBBNSA-N 2 0 326.444 2.459 20 10 EECDRP CN(C)c1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001275833169 1205555963 /nfs/dbraw/zinc/55/59/63/1205555963.db2.gz AQEOIUWOWDBXSQ-UHFFFAOYSA-N 2 0 330.520 2.212 20 10 EECDRP COc1ccc(C[NH2+]C2CC(CNC(=O)C[NH+]3CCCC3)C2)cc1C ZINC001100983991 1259519491 /nfs/dbraw/zinc/51/94/91/1259519491.db2.gz VUJSVOCPLXDJFP-UHFFFAOYSA-N 2 0 345.487 2.084 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC001235244506 1305161397 /nfs/dbraw/zinc/16/13/97/1305161397.db2.gz GIKDIRVYJKQPBP-UYAOXDASSA-N 3 0 328.504 2.142 20 10 EECDRP Oc1cc2c(cc1C[NH+]1CCC(C3CC[NH2+]CC3)CC1)C[NH2+]CCO2 ZINC001235701394 1305340948 /nfs/dbraw/zinc/34/09/48/1305340948.db2.gz AVFWFUTWYAKDAI-UHFFFAOYSA-N 3 0 345.487 2.086 20 10 EECDRP C[N@@H+]1C[C@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)[C@H]2C1 ZINC001236938141 1305736761 /nfs/dbraw/zinc/73/67/61/1305736761.db2.gz KAASYBBISIHQKR-XLIONFOSSA-N 2 0 346.494 2.104 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[NH+](CC4CC4)CC3)c(F)c2)CC1 ZINC001236938488 1305739249 /nfs/dbraw/zinc/73/92/49/1305739249.db2.gz JWDDXXIEMGETRC-UHFFFAOYSA-N 2 0 346.494 2.105 20 10 EECDRP COc1cc(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001237393030 1305917042 /nfs/dbraw/zinc/91/70/42/1305917042.db2.gz QIRVVQWUABQFSP-NVXWUHKLSA-N 2 0 333.476 2.036 20 10 EECDRP COc1cc(CN(C)CCC[NH+]2CCCC2)cc(C[NH+](C)C)c1O ZINC001139257065 1314722275 /nfs/dbraw/zinc/72/22/75/1314722275.db2.gz QJXCTDHOXMAEOG-UHFFFAOYSA-N 2 0 335.492 2.380 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCCC(=O)[C@H]4C3)cc2)CC1 ZINC001139411221 1314740553 /nfs/dbraw/zinc/74/05/53/1314740553.db2.gz AJOXRLVWOZCYIX-HKUYNNGSSA-N 2 0 327.472 2.239 20 10 EECDRP CC(C)[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC001139411604 1314740889 /nfs/dbraw/zinc/74/08/89/1314740889.db2.gz VBYBXTCIZNCQQY-SFHVURJKSA-N 2 0 330.520 2.353 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC001140300087 1314858896 /nfs/dbraw/zinc/85/88/96/1314858896.db2.gz LXFSUZKUELPBSW-UHFFFAOYSA-N 2 0 328.504 2.109 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(CCOC4)C3)cc2)CC1 ZINC001140301990 1314860507 /nfs/dbraw/zinc/86/05/07/1314860507.db2.gz GXVMTSCIFQAWQB-FQEVSTJZSA-N 2 0 329.488 2.441 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cc2)CC1 ZINC000841090038 1315472159 /nfs/dbraw/zinc/47/21/59/1315472159.db2.gz TZTPULYWHJPEKS-SFHVURJKSA-N 3 0 328.504 2.203 20 10 EECDRP C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@H]([NH3+])c1ccccc1 ZINC000841846069 1315622007 /nfs/dbraw/zinc/62/20/07/1315622007.db2.gz JOVJMTIPSJRWAX-JVPBZIDWSA-N 2 0 340.471 2.205 20 10 EECDRP CN1CCCc2cc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)ccc21 ZINC001138357458 1372387191 /nfs/dbraw/zinc/38/71/91/1372387191.db2.gz FJUNKWWBTOPJLT-UHFFFAOYSA-N 2 0 342.531 2.281 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000832279293 1372423053 /nfs/dbraw/zinc/42/30/53/1372423053.db2.gz IHYRRLGDMAEVJR-IBGZPJMESA-N 2 0 340.471 2.244 20 10 EECDRP C[N@H+](CCCn1ccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809753316 783361861 /nfs/dbraw/zinc/36/18/61/783361861.db2.gz QRTQVSLUSLTQSO-UHFFFAOYSA-N 2 0 327.476 2.157 20 10 EECDRP Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809755741 783363521 /nfs/dbraw/zinc/36/35/21/783363521.db2.gz BTSOSQNZPGDMIE-GOSISDBHSA-N 2 0 339.487 2.161 20 10 EECDRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765209 783369996 /nfs/dbraw/zinc/36/99/96/783369996.db2.gz LJXZUUGRXCLWBL-XLIONFOSSA-N 2 0 330.520 2.210 20 10 EECDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893792 785048902 /nfs/dbraw/zinc/04/89/02/785048902.db2.gz HXZUXQSHIIBVID-OXJNMPFZSA-N 2 0 331.504 2.373 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC001086327724 802750021 /nfs/dbraw/zinc/75/00/21/802750021.db2.gz OKLREMDWATWNSW-BZSNNMDCSA-N 2 0 345.487 2.082 20 10 EECDRP CN(C)c1ccc(CNC[C@@](C)(O)C[NH+](C)C)c(C(F)(F)F)c1 ZINC000280417228 464204895 /nfs/dbraw/zinc/20/48/95/464204895.db2.gz WQNBDQZCGRPVKW-OAHLLOKOSA-N 2 0 333.398 2.174 20 10 EECDRP COc1c([O-])c(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278327940 463961470 /nfs/dbraw/zinc/96/14/70/463961470.db2.gz YWBANFXSSMHSHS-GFCCVEGCSA-N 2 0 332.360 2.412 20 10 EECDRP COc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c(OC)c1 ZINC000873218979 1198534049 /nfs/dbraw/zinc/53/40/49/1198534049.db2.gz CFPALHYVNIKDJC-HZPDHXFCSA-N 2 0 333.476 2.214 20 10 EECDRP COc1ccc(N2CC[NH+](CCn3ccnc3C)CC2)c(OC)c1 ZINC000879462248 1201079666 /nfs/dbraw/zinc/07/96/66/1201079666.db2.gz MGPIGMFYOXHKHO-UHFFFAOYSA-N 2 0 330.432 2.031 20 10 EECDRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000779985437 1211958083 /nfs/dbraw/zinc/95/80/83/1211958083.db2.gz DYAHBFLSOXKQAF-UHFFFAOYSA-N 2 0 335.467 2.484 20 10 EECDRP C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)[C@@H]2C1 ZINC001236938136 1305736703 /nfs/dbraw/zinc/73/67/03/1305736703.db2.gz KAASYBBISIHQKR-FXAWDEMLSA-N 2 0 346.494 2.104 20 10 EECDRP Oc1ccc(F)cc1C[N@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140062874 1314806972 /nfs/dbraw/zinc/80/69/72/1314806972.db2.gz HGCRJQPGTDQFQZ-CALCHBBNSA-N 2 0 327.403 2.490 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC001140304106 1314862186 /nfs/dbraw/zinc/86/21/86/1314862186.db2.gz IJRLFNVJCVGXKI-NRFANRHFSA-N 2 0 342.531 2.499 20 10 EECDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840931963 1315439846 /nfs/dbraw/zinc/43/98/46/1315439846.db2.gz LNZJQPTVLXHJNK-KRWDZBQOSA-N 2 0 332.536 2.424 20 10 EECDRP COc1cc(Br)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1O ZINC000841080827 1315469848 /nfs/dbraw/zinc/46/98/48/1315469848.db2.gz WEOFNWXQLAUUDL-CYBMUJFWSA-N 2 0 341.249 2.395 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2[NH2+]CC23CCCC3)[NH+](C)C)cc1 ZINC001263260295 1322448819 /nfs/dbraw/zinc/44/88/19/1322448819.db2.gz WXEDMZUNKIADNP-ZWKOTPCHSA-N 2 0 344.503 2.004 20 10 EECDRP COc1cc(CN2CCCC[C@@](F)(C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206352340 1323467198 /nfs/dbraw/zinc/46/71/98/1323467198.db2.gz UMSDEYOSCVCVHN-GOSISDBHSA-N 2 0 339.455 2.115 20 10 EECDRP CN1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2F)CC1 ZINC001331418965 1335010503 /nfs/dbraw/zinc/01/05/03/1335010503.db2.gz MOXHDCYBIGGOSY-FUHWJXTLSA-N 2 0 334.483 2.185 20 10 EECDRP C[NH+](C)CCN1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC001138214186 1372369271 /nfs/dbraw/zinc/36/92/71/1372369271.db2.gz WWQRGDZTTQDMKJ-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832280531 1372423375 /nfs/dbraw/zinc/42/33/75/1372423375.db2.gz PBULEURKWLXEMS-FZKQIMNGSA-N 2 0 326.444 2.202 20 10 EECDRP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001755663767 1407714019 /nfs/dbraw/zinc/71/40/19/1407714019.db2.gz OCYVASZUOFVVMR-AEFFLSMTSA-N 2 0 347.503 2.424 20 10 EECDRP COc1ccc(N2CCN(CC[NH2+][C@H]3CCCCC[C@H]3[NH3+])CC2)cc1 ZINC000817892793 785048914 /nfs/dbraw/zinc/04/89/14/785048914.db2.gz CLAWXIOCVBDGFN-UXHICEINSA-N 2 0 346.519 2.067 20 10 EECDRP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1 ZINC000817971617 785123230 /nfs/dbraw/zinc/12/32/30/785123230.db2.gz FWVDYUUQFXQYSJ-DZGCQCFKSA-N 2 0 345.409 2.496 20 10 EECDRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000817974034 785125450 /nfs/dbraw/zinc/12/54/50/785125450.db2.gz XKSDCTBOOIPGIE-XJKSGUPXSA-N 2 0 344.425 2.239 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000844162989 788906218 /nfs/dbraw/zinc/90/62/18/788906218.db2.gz QSVATUQNHGSBKK-INIZCTEOSA-N 2 0 346.500 2.306 20 10 EECDRP C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000785987179 806657677 /nfs/dbraw/zinc/65/76/77/806657677.db2.gz FHTZEQHQXGTYGE-FUHIMQAGSA-N 2 0 331.504 2.420 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000185353009 463807900 /nfs/dbraw/zinc/80/79/00/463807900.db2.gz RSMJNRNTJPQDKG-HNNXBMFYSA-N 2 0 335.492 2.325 20 10 EECDRP COc1ccc(N2CCN(CCC[NH2+][C@H]3CCSC3)CC2)cc1 ZINC000237274095 464295089 /nfs/dbraw/zinc/29/50/89/464295089.db2.gz QXBYTLTXPGWWCN-INIZCTEOSA-N 2 0 335.517 2.302 20 10 EECDRP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CC[NH+](C)CC1 ZINC000775677181 577442542 /nfs/dbraw/zinc/44/25/42/577442542.db2.gz JWBMCNOZANFCBP-UHFFFAOYSA-N 3 0 330.520 2.212 20 10 EECDRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000756550842 577846475 /nfs/dbraw/zinc/84/64/75/577846475.db2.gz SUNZXNTUCQHUIS-OLZOCXBDSA-N 2 0 339.867 2.284 20 10 EECDRP C[NH+](C)CCN1CC[C@]2(CCC[N@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619502 1190933858 /nfs/dbraw/zinc/93/38/58/1190933858.db2.gz WLXOOGAEFKTXEK-HXUWFJFHSA-N 2 0 345.487 2.158 20 10 EECDRP C[NH+]1CCN(C2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)CC1 ZINC000872731431 1198357862 /nfs/dbraw/zinc/35/78/62/1198357862.db2.gz FHCGLJFRVRTDAA-UHFFFAOYSA-N 2 0 340.471 2.152 20 10 EECDRP CCOc1cccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c1O ZINC001275270013 1205295140 /nfs/dbraw/zinc/29/51/40/1205295140.db2.gz CTFSAAZRBMIASL-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@@H]3CCC[NH2+][C@H]3C)cc2F)CC1 ZINC000925560061 1206127786 /nfs/dbraw/zinc/12/77/86/1206127786.db2.gz WLBHKWPUQAZISX-MAUKXSAKSA-N 2 0 334.483 2.198 20 10 EECDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001187321895 1279489310 /nfs/dbraw/zinc/48/93/10/1279489310.db2.gz HBSIQUDJFKDADY-QGZVFWFLSA-N 2 0 333.476 2.036 20 10 EECDRP COc1ccc2ccc(O)c(C[N@@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c2c1 ZINC001222506986 1299644631 /nfs/dbraw/zinc/64/46/31/1299644631.db2.gz LBDDKQJNZSWLAM-OALUTQOASA-N 2 0 341.455 2.080 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cc2)CC1 ZINC001276876224 1300044620 /nfs/dbraw/zinc/04/46/20/1300044620.db2.gz SXJXUQYHHZQODZ-BGYRXZFFSA-N 3 0 342.531 2.212 20 10 EECDRP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001277420692 1302945794 /nfs/dbraw/zinc/94/57/94/1302945794.db2.gz FNIXPRIYPPMXIG-LJQANCHMSA-N 2 0 332.444 2.025 20 10 EECDRP C[N@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454695 1304470061 /nfs/dbraw/zinc/47/00/61/1304470061.db2.gz GEWLEVNZYYJIJJ-UHFFFAOYSA-N 2 0 331.382 2.090 20 10 EECDRP Oc1cc2c(cc1CN1CC[NH+](CC3CCCC3)CC1)C[NH2+]CCO2 ZINC001235711779 1305346123 /nfs/dbraw/zinc/34/61/23/1305346123.db2.gz ANUAPVGTQNIYMH-UHFFFAOYSA-N 2 0 345.487 2.182 20 10 EECDRP CCOC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236070919 1305490239 /nfs/dbraw/zinc/49/02/39/1305490239.db2.gz CLDMRBKMJMLQHF-HXUWFJFHSA-N 2 0 345.487 2.261 20 10 EECDRP CC[N@H+](CCn1cccn1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139257392 1314722199 /nfs/dbraw/zinc/72/21/99/1314722199.db2.gz AVBGQXDUYQZQPI-UHFFFAOYSA-N 2 0 332.448 2.181 20 10 EECDRP COc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc(C[NH+](C)C)c1O ZINC001139259147 1314722888 /nfs/dbraw/zinc/72/28/88/1314722888.db2.gz JUIJSQYCVBEMBK-IBGZPJMESA-N 2 0 334.460 2.465 20 10 EECDRP CN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C2(CCCC2)C1 ZINC001139411570 1314740935 /nfs/dbraw/zinc/74/09/35/1314740935.db2.gz SRMJPJTXIMVEJC-UHFFFAOYSA-N 2 0 342.531 2.499 20 10 EECDRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1N1CCOCC1 ZINC000843126652 1315849173 /nfs/dbraw/zinc/84/91/73/1315849173.db2.gz SDIZFHLODHCGAU-IXDOHACOSA-N 2 0 333.451 2.140 20 10 EECDRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001326992024 1334198567 /nfs/dbraw/zinc/19/85/67/1334198567.db2.gz WTMYXKWNKWUFDK-OAHLLOKOSA-N 2 0 334.483 2.137 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)CC1 ZINC001328411703 1334455812 /nfs/dbraw/zinc/45/58/12/1334455812.db2.gz IHZBKCCQEJUGOW-UHFFFAOYSA-N 2 0 342.531 2.404 20 10 EECDRP CCc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000848890706 1338794634 /nfs/dbraw/zinc/79/46/34/1338794634.db2.gz UDUKJSDYECDTEN-LPHOPBHVSA-N 2 0 331.504 2.412 20 10 EECDRP [NH3+]CC1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000817895861 785050569 /nfs/dbraw/zinc/05/05/69/785050569.db2.gz XBLNADHPHHQSFY-UHFFFAOYSA-N 2 0 335.467 2.394 20 10 EECDRP Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1O ZINC000817944976 785094852 /nfs/dbraw/zinc/09/48/52/785094852.db2.gz QOWSGTLXOBPSFP-GFCCVEGCSA-N 2 0 342.281 2.019 20 10 EECDRP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)ccc1O ZINC000817982711 785130497 /nfs/dbraw/zinc/13/04/97/785130497.db2.gz VPYNRVFTQVFEBO-ZYHUDNBSSA-N 2 0 329.238 2.184 20 10 EECDRP CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001082589301 797597156 /nfs/dbraw/zinc/59/71/56/797597156.db2.gz UUUAMEYFUNKCBF-KBAYOESNSA-N 2 0 347.503 2.280 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)cc1C ZINC001179439007 799921048 /nfs/dbraw/zinc/92/10/48/799921048.db2.gz DAJIBUDYMMOTJT-WMZOPIPTSA-N 2 0 347.503 2.424 20 10 EECDRP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001183765171 801727236 /nfs/dbraw/zinc/72/72/36/801727236.db2.gz OSRFUEVFKZJTFR-QGZVFWFLSA-N 2 0 347.503 2.424 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1C ZINC001129840376 811013230 /nfs/dbraw/zinc/01/32/30/811013230.db2.gz FUPHQPRTTVLTPL-QGZVFWFLSA-N 2 0 333.476 2.084 20 10 EECDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185014543 463737006 /nfs/dbraw/zinc/73/70/06/463737006.db2.gz JMLCOVSUOBQEMU-MRXNPFEDSA-N 2 0 335.492 2.469 20 10 EECDRP COc1ccc(O)c(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271827223 464392407 /nfs/dbraw/zinc/39/24/07/464392407.db2.gz OGYSWUOUQLIWSH-UHFFFAOYSA-N 2 0 347.503 2.391 20 10 EECDRP CCOc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377620488 467098794 /nfs/dbraw/zinc/09/87/94/467098794.db2.gz DQORRBPGZZRIGJ-GOSISDBHSA-N 2 0 347.503 2.391 20 10 EECDRP Cn1cc(C(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000771842275 577233900 /nfs/dbraw/zinc/23/39/00/577233900.db2.gz MCYZXQPIJHQKQW-UHFFFAOYSA-N 2 0 327.476 2.197 20 10 EECDRP CCOC(=O)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775638925 577441539 /nfs/dbraw/zinc/44/15/39/577441539.db2.gz QEJOUEIFZQUYQS-UHFFFAOYSA-N 2 0 345.487 2.214 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[N@@H+]4CCCC[C@H]4C3)cc2)CC1 ZINC000775664951 577442152 /nfs/dbraw/zinc/44/21/52/577442152.db2.gz FIPNZQWYHMUPBR-FQEVSTJZSA-N 2 0 328.504 2.109 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000775674444 577442453 /nfs/dbraw/zinc/44/24/53/577442453.db2.gz BGUSYVVCNUWOFS-HXUWFJFHSA-N 2 0 339.487 2.472 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1C ZINC001022292813 676800197 /nfs/dbraw/zinc/80/01/97/676800197.db2.gz QRTJSVVBWQOEGN-FGTMMUONSA-N 2 0 345.487 2.225 20 10 EECDRP COc1cc(C)cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1O ZINC000894414861 682869767 /nfs/dbraw/zinc/86/97/67/682869767.db2.gz MHIHBTHGCFJXSL-UHFFFAOYSA-N 2 0 345.443 2.334 20 10 EECDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877158975 1199872396 /nfs/dbraw/zinc/87/23/96/1199872396.db2.gz PQALEJNWTPTWOW-HXUWFJFHSA-N 2 0 349.519 2.094 20 10 EECDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877585792 1199973254 /nfs/dbraw/zinc/97/32/54/1199973254.db2.gz WYXAOKAXXQXTPA-GOSISDBHSA-N 2 0 331.504 2.469 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000812780953 1200912046 /nfs/dbraw/zinc/91/20/46/1200912046.db2.gz XLIFZYCGWVLYPK-IBGZPJMESA-N 2 0 325.460 2.082 20 10 EECDRP CCCn1nccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283281 1202040540 /nfs/dbraw/zinc/04/05/40/1202040540.db2.gz ZASIIQOGNGIWAB-UHFFFAOYSA-N 2 0 327.476 2.335 20 10 EECDRP Cc1cc(C)c(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c(O)c1 ZINC001274214406 1204467290 /nfs/dbraw/zinc/46/72/90/1204467290.db2.gz XAIFTZWMEHHXSU-FQEVSTJZSA-N 2 0 345.487 2.138 20 10 EECDRP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c(O)c1 ZINC001274652650 1205116585 /nfs/dbraw/zinc/11/65/85/1205116585.db2.gz BOPRFUJQDPLFLY-QZTJIDSGSA-N 2 0 345.487 2.082 20 10 EECDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1c(O)ccc3ccccc31)C2 ZINC001276078156 1205762164 /nfs/dbraw/zinc/76/21/64/1205762164.db2.gz KMLGZGKDOGIZMC-UHFFFAOYSA-N 2 0 325.456 2.225 20 10 EECDRP Cc1cccc(C[NH+]2CCC3(C[NH+](CCn4ccnc4)C3)CC2)c1O ZINC001276081011 1205764009 /nfs/dbraw/zinc/76/40/09/1205764009.db2.gz ZQRYAMWWDQUFFD-UHFFFAOYSA-N 2 0 340.471 2.495 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cc1C ZINC001018966898 1228584932 /nfs/dbraw/zinc/58/49/32/1228584932.db2.gz WSOLICPRFQNTTR-PKOBYXMFSA-N 2 0 345.487 2.034 20 10 EECDRP COc1cc(O)c(C[NH+]2CCC(F)(C[NH3+])CC2)c(Br)c1 ZINC001222548290 1299674857 /nfs/dbraw/zinc/67/48/57/1299674857.db2.gz FEMJPTWXZFIJAF-UHFFFAOYSA-N 2 0 347.228 2.426 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(O)CC3)c(F)c2)CC1 ZINC001236933708 1305735400 /nfs/dbraw/zinc/73/54/00/1305735400.db2.gz ZUADFYYVBNYBFO-IBGZPJMESA-N 2 0 335.467 2.314 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CCOC4)C3)c(F)c2)CC1 ZINC001236935670 1305737110 /nfs/dbraw/zinc/73/71/10/1305737110.db2.gz JRFHBXZFSIYNBI-LJQANCHMSA-N 2 0 333.451 2.190 20 10 EECDRP CCOc1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)c(O)c1 ZINC001237042058 1305775426 /nfs/dbraw/zinc/77/54/26/1305775426.db2.gz FEIJTFYNFKJOAU-UHFFFAOYSA-N 2 0 337.508 2.496 20 10 EECDRP C[N@H+](C1CC1)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410862 1314740944 /nfs/dbraw/zinc/74/09/44/1314740944.db2.gz ITBLWDLAGOAKCF-FQEVSTJZSA-N 2 0 328.504 2.107 20 10 EECDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159334874 1319745898 /nfs/dbraw/zinc/74/58/98/1319745898.db2.gz KUWRRBAUABLEMA-SFHVURJKSA-N 2 0 347.503 2.474 20 10 EECDRP C[NH2+]C[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001205018766 1322264794 /nfs/dbraw/zinc/26/47/94/1322264794.db2.gz YZPSGBVMZCNWAY-MRXNPFEDSA-N 2 0 334.483 2.009 20 10 EECDRP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205618022 1323217373 /nfs/dbraw/zinc/21/73/73/1323217373.db2.gz QRKUNJHHEYKLCO-HKUYNNGSSA-N 3 0 330.520 2.245 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccccc3CO)cc2)CC1 ZINC001308224124 1331573778 /nfs/dbraw/zinc/57/37/78/1331573778.db2.gz CIPGYRQXQRFLEW-UHFFFAOYSA-N 2 0 325.456 2.221 20 10 EECDRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C(C)C)cc1C ZINC001319132589 1332654176 /nfs/dbraw/zinc/65/41/76/1332654176.db2.gz QXWUCOORPVZTJO-GOSISDBHSA-N 2 0 347.503 2.424 20 10 EECDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001334903136 1336311025 /nfs/dbraw/zinc/31/10/25/1336311025.db2.gz RMDCUECEETUUHL-AWEZNQCLSA-N 2 0 340.462 2.146 20 10 EECDRP C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)C1C[NH2+]C1 ZINC000817887948 785024393 /nfs/dbraw/zinc/02/43/93/785024393.db2.gz HKFGVBNDHGEFGG-LBPRGKRZSA-N 2 0 343.393 2.240 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCCO[C@H]3CCCCO3)cc2)CC1 ZINC000922231281 799974293 /nfs/dbraw/zinc/97/42/93/799974293.db2.gz FDBXNIMLDZTCHX-FQEVSTJZSA-N 2 0 347.503 2.461 20 10 EECDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043298 530064550 /nfs/dbraw/zinc/06/45/50/530064550.db2.gz NCUNLNFCWDHHLC-ICSRJNTNSA-N 2 0 329.488 2.439 20 10 EECDRP COc1ccc(O)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377622029 467098638 /nfs/dbraw/zinc/09/86/38/467098638.db2.gz GROPTZPSDQFMGY-QGZVFWFLSA-N 2 0 333.476 2.001 20 10 EECDRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000762482923 577701937 /nfs/dbraw/zinc/70/19/37/577701937.db2.gz NIJCZOZPNNLFBR-SFHVURJKSA-N 2 0 347.503 2.114 20 10 EECDRP CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001026916519 685314643 /nfs/dbraw/zinc/31/46/43/685314643.db2.gz JAXLHRKZNKKIJG-QZTJIDSGSA-N 2 0 347.503 2.282 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1O ZINC000895192862 684273227 /nfs/dbraw/zinc/27/32/27/684273227.db2.gz OTNONJBXPWZYOO-KRWDZBQOSA-N 2 0 334.460 2.396 20 10 EECDRP Cc1cccc(O)c1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000876991750 1199838774 /nfs/dbraw/zinc/83/87/74/1199838774.db2.gz UAUPBVURHOQURW-UHFFFAOYSA-N 2 0 340.471 2.398 20 10 EECDRP COc1ccc(N2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)c(OC)c1 ZINC000879461348 1201080092 /nfs/dbraw/zinc/08/00/92/1201080092.db2.gz AYZSGMDHIZXSTN-INIZCTEOSA-N 2 0 333.476 2.310 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)Cn3cccn3)cc2F)CC1 ZINC000138377254 1202527506 /nfs/dbraw/zinc/52/75/06/1202527506.db2.gz WBLMXJPAPZVQMI-MRXNPFEDSA-N 2 0 345.466 2.342 20 10 EECDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC001275960595 1205604161 /nfs/dbraw/zinc/60/41/61/1205604161.db2.gz XIATWAPLXZKHDJ-PZJWPPBQSA-N 2 0 342.531 2.355 20 10 EECDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000925504076 1206120569 /nfs/dbraw/zinc/12/05/69/1206120569.db2.gz PFAZACVBDRBDMG-OZSOSCRKSA-N 2 0 347.478 2.392 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152524 1305129800 /nfs/dbraw/zinc/12/98/00/1305129800.db2.gz GIGKZIVIKWILMM-NRFANRHFSA-N 3 0 342.531 2.450 20 10 EECDRP CC1CCC(O)(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000853092358 1292278997 /nfs/dbraw/zinc/27/89/97/1292278997.db2.gz LUJDRBYDAQCOHO-UHFFFAOYSA-N 2 0 331.504 2.469 20 10 EECDRP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858246153 1294059729 /nfs/dbraw/zinc/05/97/29/1294059729.db2.gz WFLKORWFLWMQQL-QGZVFWFLSA-N 2 0 335.467 2.484 20 10 EECDRP [NH3+]C1CN([C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001236073172 1305492838 /nfs/dbraw/zinc/49/28/38/1305492838.db2.gz LPIPGALHVREXKY-FQEVSTJZSA-N 2 0 328.504 2.284 20 10 EECDRP C[NH+]1CCN(c2ccc(CN(C3CC3)[C@@H]3CCC[NH2+]C3)c(F)c2)CC1 ZINC001236238730 1305541444 /nfs/dbraw/zinc/54/14/44/1305541444.db2.gz CISVGLZHPJVPEQ-LJQANCHMSA-N 2 0 346.494 2.294 20 10 EECDRP CN1CCCc2cc(CN(CC[NH+](C)C)[C@@H]3CCC[NH2+]C3)ccc21 ZINC001236923455 1305729455 /nfs/dbraw/zinc/72/94/55/1305729455.db2.gz KDWNUDLVWOLBCV-LJQANCHMSA-N 2 0 330.520 2.185 20 10 EECDRP CC(C)[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@@H]1C ZINC001236947404 1305742111 /nfs/dbraw/zinc/74/21/11/1305742111.db2.gz RNOXONVABWXMOC-KRWDZBQOSA-N 2 0 348.510 2.492 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCC(=O)O4)C3)cc2)CC1 ZINC001139411064 1314740765 /nfs/dbraw/zinc/74/07/65/1314740765.db2.gz SSMVTIPGHIGXHV-FQEVSTJZSA-N 2 0 343.471 2.110 20 10 EECDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC000841300501 1315525299 /nfs/dbraw/zinc/52/52/99/1315525299.db2.gz QPSLKYMPZCPKTN-KRWDZBQOSA-N 2 0 333.480 2.149 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000841845873 1315621972 /nfs/dbraw/zinc/62/19/72/1315621972.db2.gz HMARYBSVHLDPBZ-OALUTQOASA-N 2 0 340.471 2.349 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124797 1315848258 /nfs/dbraw/zinc/84/82/58/1315848258.db2.gz GUKUPZZCFQMJPS-VQTJNVASSA-N 3 0 342.531 2.260 20 10 EECDRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001326236468 1334049513 /nfs/dbraw/zinc/04/95/13/1334049513.db2.gz JMBMFKRGZODLFH-LJQANCHMSA-N 2 0 344.503 2.106 20 10 EECDRP CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780903919 1371175082 /nfs/dbraw/zinc/17/50/82/1371175082.db2.gz VOQOEBUITCUODC-HXUWFJFHSA-N 2 0 330.520 2.210 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN[C@H]3C[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000817902831 785055460 /nfs/dbraw/zinc/05/54/60/785055460.db2.gz YYHWDIYTSDOBFM-QAPCUYQASA-N 2 0 334.483 2.055 20 10 EECDRP C[C@@H]([NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1)C1C[NH2+]C1 ZINC000817903946 785058415 /nfs/dbraw/zinc/05/84/15/785058415.db2.gz XPBIVYIHOCMXFL-GFCCVEGCSA-N 2 0 325.403 2.454 20 10 EECDRP CC(C)[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[NH+]1CCCCC1 ZINC000844163290 788880419 /nfs/dbraw/zinc/88/04/19/788880419.db2.gz XKJTVYVZPCUVGI-RBUKOAKNSA-N 2 0 346.519 2.379 20 10 EECDRP COc1cccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000846148109 790064406 /nfs/dbraw/zinc/06/44/06/790064406.db2.gz XBXJOOFEDAXNMM-HUUCEWRRSA-N 2 0 333.476 2.220 20 10 EECDRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001146396546 791233126 /nfs/dbraw/zinc/23/31/26/791233126.db2.gz ASXNVVGFPTWQBH-SJORKVTESA-N 2 0 347.503 2.472 20 10 EECDRP CCOc1ccc(O)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000134124700 463005960 /nfs/dbraw/zinc/00/59/60/463005960.db2.gz QIHUULBALXHXRW-UHFFFAOYSA-N 2 0 334.460 2.335 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCOC[C@H]3C)cc2F)CC1 ZINC000192542344 529153213 /nfs/dbraw/zinc/15/32/13/529153213.db2.gz RWXQYSLINXLQNL-QAPCUYQASA-N 2 0 335.467 2.482 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC000970484478 675928001 /nfs/dbraw/zinc/92/80/01/675928001.db2.gz TVJYIXWHFURRKW-QZTJIDSGSA-N 2 0 345.487 2.036 20 10 EECDRP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000891248394 676242473 /nfs/dbraw/zinc/24/24/73/676242473.db2.gz LIZUOVSYNIXGFR-IEZWGBDMSA-N 2 0 346.519 2.202 20 10 EECDRP COc1cc(Cl)cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1O ZINC000894378240 682726615 /nfs/dbraw/zinc/72/66/15/682726615.db2.gz QGVHULLSDBGNRR-UHFFFAOYSA-N 2 0 341.883 2.171 20 10 EECDRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1SC ZINC000895607546 684661330 /nfs/dbraw/zinc/66/13/30/684661330.db2.gz OMJKJRANNJCBAX-OTWHNJEPSA-N 2 0 349.544 2.437 20 10 EECDRP [NH3+]Cc1ccc2c(c1)CCCN2Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904300797 694352684 /nfs/dbraw/zinc/35/26/84/694352684.db2.gz AXSFEBNFMSHWPA-UHFFFAOYSA-N 2 0 326.444 2.101 20 10 EECDRP [NH3+]Cc1cn(-c2cccc(C[NH2+]Cc3ccc4c(c3)CCCO4)c2)nn1 ZINC000904385346 694383821 /nfs/dbraw/zinc/38/38/21/694383821.db2.gz VZTWSZRVQUKVLN-UHFFFAOYSA-N 2 0 349.438 2.341 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000883289713 1202041300 /nfs/dbraw/zinc/04/13/00/1202041300.db2.gz XXHLCIVQLPHQAJ-UHFFFAOYSA-N 3 0 342.531 2.402 20 10 EECDRP CCN(CC)c1ccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)c(O)c1 ZINC001276132581 1205792808 /nfs/dbraw/zinc/79/28/08/1205792808.db2.gz FZCBYTJGWOGPJS-UHFFFAOYSA-N 2 0 346.519 2.060 20 10 EECDRP CN(C)c1cc(F)c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1F ZINC000858094887 1294004040 /nfs/dbraw/zinc/00/40/40/1294004040.db2.gz JVHPUDBFDRZVOC-UHFFFAOYSA-N 2 0 340.462 2.146 20 10 EECDRP OC1CCN(c2ccc(C[N@@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237391075 1305917071 /nfs/dbraw/zinc/91/70/71/1305917071.db2.gz JYFQSNBXYQLYII-YLJYHZDGSA-N 2 0 329.488 2.222 20 10 EECDRP CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176388 1310254011 /nfs/dbraw/zinc/25/40/11/1310254011.db2.gz XIRAOVAHXXTWEY-IEBWSBKVSA-N 3 0 330.520 2.353 20 10 EECDRP COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000839538741 1315213328 /nfs/dbraw/zinc/21/33/28/1315213328.db2.gz FGIJOTPVTGJFEB-CQSZACIVSA-N 2 0 349.475 2.040 20 10 EECDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001276551872 1324239437 /nfs/dbraw/zinc/23/94/37/1324239437.db2.gz TWJJPVPEBOOCMN-UHFFFAOYSA-N 2 0 342.531 2.356 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC001308195407 1331571410 /nfs/dbraw/zinc/57/14/10/1331571410.db2.gz CFPIUMCYRFXVAA-GOSISDBHSA-N 3 0 328.504 2.012 20 10 EECDRP CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326187489 1334039270 /nfs/dbraw/zinc/03/92/70/1334039270.db2.gz GWFDNXKFSBYCMT-WBVHZDCISA-N 2 0 337.483 2.464 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@]3(O)CCCC3(C)C)cc2)CC1 ZINC000815148496 1367821326 /nfs/dbraw/zinc/82/13/26/1367821326.db2.gz XWDBHUCUNDYWCW-FQEVSTJZSA-N 2 0 331.504 2.469 20 10 EECDRP CCN(CC)c1ccc(C[N@H+](C)CCN2CC[NH+](C)CC2)c(OC)c1 ZINC001138388995 1372388736 /nfs/dbraw/zinc/38/87/36/1372388736.db2.gz DJCYXIJFNBDORR-UHFFFAOYSA-N 2 0 348.535 2.221 20 10 EECDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817936557 785080695 /nfs/dbraw/zinc/08/06/95/785080695.db2.gz UGENHROBXIZMEJ-GUYCJALGSA-N 2 0 339.430 2.279 20 10 EECDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(O)c1 ZINC000817971664 785122160 /nfs/dbraw/zinc/12/21/60/785122160.db2.gz GDDLMAYGFGKYQM-SWLSCSKDSA-N 2 0 331.382 2.187 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]([C@H](CO)C3CC3)C3CC3)cc2)CC1 ZINC000824845886 788335771 /nfs/dbraw/zinc/33/57/71/788335771.db2.gz ODAJGCHVWSNYCF-RTWAWAEBSA-N 2 0 343.515 2.325 20 10 EECDRP COc1cccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000846137276 790072746 /nfs/dbraw/zinc/07/27/46/790072746.db2.gz DFIDUSCLLYVZGB-WBVHZDCISA-N 2 0 335.492 2.323 20 10 EECDRP COc1cccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1O ZINC000846137274 790072758 /nfs/dbraw/zinc/07/27/58/790072758.db2.gz DFIDUSCLLYVZGB-RDJZCZTQSA-N 2 0 335.492 2.323 20 10 EECDRP C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000846226162 790093567 /nfs/dbraw/zinc/09/35/67/790093567.db2.gz JAWSYBLQIQSJFN-QFBILLFUSA-N 2 0 346.519 2.160 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)c2cccc(C[NH3+])c2)[NH+](C)C)cc1 ZINC001514581858 1118797644 /nfs/dbraw/zinc/79/76/44/1118797644.db2.gz OHTKNVSQOVGEAU-IBGZPJMESA-N 2 0 340.471 2.244 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000273484325 464718875 /nfs/dbraw/zinc/71/88/75/464718875.db2.gz MWRFFBAVZIEIBF-IXDGSTSKSA-N 2 0 334.460 2.429 20 10 EECDRP COc1cc(C)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000763332808 577719249 /nfs/dbraw/zinc/71/92/49/577719249.db2.gz GMMNVFNHOMWGOR-WMZOPIPTSA-N 2 0 347.503 2.167 20 10 EECDRP CN(C)C(=O)C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccccc3O)(C1)CCC2 ZINC001275266504 1205293892 /nfs/dbraw/zinc/29/38/92/1205293892.db2.gz ABLNQBDVFRENFQ-MOPGFXCFSA-N 2 0 331.460 2.005 20 10 EECDRP Cc1c(O)ccc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001276117845 1205781924 /nfs/dbraw/zinc/78/19/24/1205781924.db2.gz BGNGBZFZCDDSFM-CALCHBBNSA-N 2 0 347.503 2.112 20 10 EECDRP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C)[NH+](C)C ZINC001074885671 1257192811 /nfs/dbraw/zinc/19/28/11/1257192811.db2.gz QUTOMOXSDVPOPP-SZMVWBNQSA-N 2 0 347.503 2.423 20 10 EECDRP CC[NH+]1CCN(c2ccc(O[C@@H]3C[C@@H]4CC(=O)C[C@H]3[N@@H+]4C)cc2)CC1 ZINC001234657104 1305002571 /nfs/dbraw/zinc/00/25/71/1305002571.db2.gz BBCCYACXQUGQTJ-PWIZWCRZSA-N 2 0 343.471 2.012 20 10 EECDRP COC(=O)Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(O)c1 ZINC001235237969 1305160225 /nfs/dbraw/zinc/16/02/25/1305160225.db2.gz OCDFAFHWJJZJSF-SFHVURJKSA-N 2 0 346.471 2.462 20 10 EECDRP CCOC(=O)C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CCCC1 ZINC001236435640 1305578480 /nfs/dbraw/zinc/57/84/80/1305578480.db2.gz DRHXNVMRZXYRDZ-UHFFFAOYSA-N 2 0 345.487 2.404 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CO)CC3)c(F)c2)CC1 ZINC001236930920 1305733376 /nfs/dbraw/zinc/73/33/76/1305733376.db2.gz HCORDBHTNUFAAC-INIZCTEOSA-N 2 0 335.467 2.172 20 10 EECDRP COc1cc(C[N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139260059 1314722898 /nfs/dbraw/zinc/72/28/98/1314722898.db2.gz LPJBJBKGUINZKG-GDBMZVCRSA-N 2 0 332.444 2.263 20 10 EECDRP COC(=O)C1(C)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139409705 1314741025 /nfs/dbraw/zinc/74/10/25/1314741025.db2.gz PTBNBWCNRWJMHL-UHFFFAOYSA-N 2 0 345.487 2.214 20 10 EECDRP CC[N@H+](CCn1cccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412893 1314741442 /nfs/dbraw/zinc/74/14/42/1314741442.db2.gz RCMBQYUJCSLRDK-UHFFFAOYSA-N 2 0 327.476 2.157 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1 ZINC000841847120 1315622126 /nfs/dbraw/zinc/62/21/26/1315622126.db2.gz ZOUMEVBBDKWSBY-DLLQETOTSA-N 2 0 344.503 2.022 20 10 EECDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681307 1323243478 /nfs/dbraw/zinc/24/34/78/1323243478.db2.gz HYNXLFFTZNLOGO-HXUWFJFHSA-N 2 0 329.488 2.061 20 10 EECDRP Cc1c[nH]c(=O)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001308544795 1331596397 /nfs/dbraw/zinc/59/63/97/1331596397.db2.gz WHRZQMCMAYNLTL-UHFFFAOYSA-N 2 0 326.444 2.137 20 10 EECDRP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001323828984 1333549193 /nfs/dbraw/zinc/54/91/93/1333549193.db2.gz FQODCFHNRDLMNJ-OAGGEKHMSA-N 2 0 345.487 2.426 20 10 EECDRP Cc1noc([C@H]2CC[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n1 ZINC000794141419 1367714391 /nfs/dbraw/zinc/71/43/91/1367714391.db2.gz VJZHSTVZRSSMJC-KRWDZBQOSA-N 2 0 341.459 2.119 20 10 EECDRP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001755236117 1407245624 /nfs/dbraw/zinc/24/56/24/1407245624.db2.gz DNYUCVQXIQPBCC-HOTGVXAUSA-N 2 0 347.503 2.471 20 10 EECDRP COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1C ZINC001135370766 783658965 /nfs/dbraw/zinc/65/89/65/783658965.db2.gz AOBQLUXCPGGWQW-CVEARBPZSA-N 2 0 335.492 2.328 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+]CC3(O)CCCC3)cc2F)CC1 ZINC000819032251 785390833 /nfs/dbraw/zinc/39/08/33/785390833.db2.gz GFKZPDNQEICXTD-UHFFFAOYSA-N 2 0 335.467 2.362 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001129423549 810836525 /nfs/dbraw/zinc/83/65/25/810836525.db2.gz UUSPAOPFMDKBFD-GOSISDBHSA-N 2 0 347.503 2.472 20 10 EECDRP Cc1cc(O)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000362688184 465942414 /nfs/dbraw/zinc/94/24/14/465942414.db2.gz SWXHOCPMGOVKFE-HKUYNNGSSA-N 2 0 331.504 2.467 20 10 EECDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251028 676247321 /nfs/dbraw/zinc/24/73/21/676247321.db2.gz BYGNJYJLVYZBSY-FCEWJHQRSA-N 2 0 346.519 2.344 20 10 EECDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255986 676252100 /nfs/dbraw/zinc/25/21/00/676252100.db2.gz UPZKILPYJMPZHP-MOPGFXCFSA-N 2 0 346.519 2.346 20 10 EECDRP Oc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000397514667 1176667113 /nfs/dbraw/zinc/66/71/13/1176667113.db2.gz RJWAXWIFBNFUSQ-UHFFFAOYSA-N 2 0 342.439 2.215 20 10 EECDRP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000876929027 1199821273 /nfs/dbraw/zinc/82/12/73/1199821273.db2.gz FZXHLPZFYLGEGD-KRWDZBQOSA-N 2 0 329.488 2.222 20 10 EECDRP CN(C)CC[N@@H+]1CCCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1 ZINC001275419333 1205350170 /nfs/dbraw/zinc/35/01/70/1205350170.db2.gz VFMLIXWCNFGXJZ-UHFFFAOYSA-N 2 0 347.503 2.337 20 10 EECDRP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H](O)C(F)(F)F ZINC000779192059 1209289614 /nfs/dbraw/zinc/28/96/14/1209289614.db2.gz DNZPYBFWKCOJDI-MRXNPFEDSA-N 2 0 345.409 2.184 20 10 EECDRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc1C ZINC001000935825 1241251223 /nfs/dbraw/zinc/25/12/23/1241251223.db2.gz ODHACEKNPIVPMV-SFHVURJKSA-N 2 0 345.487 2.180 20 10 EECDRP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001276836939 1299846623 /nfs/dbraw/zinc/84/66/23/1299846623.db2.gz CJEPXHCETHSSSU-OLZOCXBDSA-N 2 0 341.858 2.252 20 10 EECDRP COC(=O)Cc1ccc(C[N@@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001277421202 1302950136 /nfs/dbraw/zinc/95/01/36/1302950136.db2.gz OZTNZRHVWSOFPU-FQEVSTJZSA-N 2 0 346.471 2.416 20 10 EECDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1O ZINC001233454143 1304470325 /nfs/dbraw/zinc/47/03/25/1304470325.db2.gz IHZGGKHDFQHXDF-UHFFFAOYSA-N 2 0 333.398 2.336 20 10 EECDRP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1O ZINC000840831011 1315418893 /nfs/dbraw/zinc/41/88/93/1315418893.db2.gz KGTULDBBXSTQAG-GOSISDBHSA-N 2 0 347.503 2.230 20 10 EECDRP COC[C@@]1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000841068098 1315467364 /nfs/dbraw/zinc/46/73/64/1315467364.db2.gz VAFOQZDKFFVTIT-IBGZPJMESA-N 2 0 333.476 2.022 20 10 EECDRP C[NH+]1CCN(c2ccc(CN(CC[NH3+])Cc3ccccc3)cc2)CC1 ZINC000843059026 1315831817 /nfs/dbraw/zinc/83/18/17/1315831817.db2.gz DDDMDYPWMGLVQH-UHFFFAOYSA-N 2 0 338.499 2.399 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)C[N@@H+]2CCC[C@@H]2C)cc1C ZINC001166627449 1321753846 /nfs/dbraw/zinc/75/38/46/1321753846.db2.gz VXFRLODGIWFWLP-INIZCTEOSA-N 2 0 333.476 2.084 20 10 EECDRP COCCOc1ccc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC001207399332 1323959661 /nfs/dbraw/zinc/95/96/61/1323959661.db2.gz IYOQWWWYRUOEKG-UHFFFAOYSA-N 2 0 347.503 2.176 20 10 EECDRP CCc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000848890711 1338794407 /nfs/dbraw/zinc/79/44/07/1338794407.db2.gz UDUKJSDYECDTEN-VQIMIIECSA-N 2 0 331.504 2.412 20 10 EECDRP Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809755743 783364048 /nfs/dbraw/zinc/36/40/48/783364048.db2.gz BTSOSQNZPGDMIE-SFHVURJKSA-N 2 0 339.487 2.161 20 10 EECDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000817865534 785031329 /nfs/dbraw/zinc/03/13/29/785031329.db2.gz KNRUDRBXBNPHCU-ZHALLVOQSA-N 3 0 330.520 2.244 20 10 EECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](C[NH3+])C2CCCCCC2)cc1 ZINC000911667738 787612138 /nfs/dbraw/zinc/61/21/38/787612138.db2.gz ROWDQUCWXHEHBL-OALUTQOASA-N 2 0 346.519 2.414 20 10 EECDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000844900973 789442979 /nfs/dbraw/zinc/44/29/79/789442979.db2.gz CJPBTZNHQFKBQY-LPHOPBHVSA-N 2 0 333.451 2.223 20 10 EECDRP COc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1O ZINC000846156458 790066585 /nfs/dbraw/zinc/06/65/85/790066585.db2.gz LTEQOKIDCRDZRW-RRQGHBQHSA-N 2 0 334.460 2.429 20 10 EECDRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC000998549078 792979864 /nfs/dbraw/zinc/97/98/64/792979864.db2.gz KCLLCXQQEADDAW-ABHNRTSZSA-N 2 0 345.487 2.177 20 10 EECDRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000159134910 463270534 /nfs/dbraw/zinc/27/05/34/463270534.db2.gz KHQHJRYFURSQNR-GOSISDBHSA-N 2 0 341.455 2.243 20 10 EECDRP COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000194260485 463823932 /nfs/dbraw/zinc/82/39/32/463823932.db2.gz LDHYQGQEFOPVHR-QAPCUYQASA-N 2 0 335.492 2.323 20 10 EECDRP COc1cc(Cl)cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000186595616 464030163 /nfs/dbraw/zinc/03/01/63/464030163.db2.gz XKQVGQOYNSGZBG-CYBMUJFWSA-N 2 0 341.883 2.170 20 10 EECDRP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834868 467149155 /nfs/dbraw/zinc/14/91/55/467149155.db2.gz OVOUKNVQWIOEQG-AZUAARDMSA-N 2 0 329.488 2.439 20 10 EECDRP CCN(C)c1ccc(C[NH+]2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000773783791 577364425 /nfs/dbraw/zinc/36/44/25/577364425.db2.gz DXJIZKUFKHMGAX-LJQANCHMSA-N 2 0 344.503 2.057 20 10 EECDRP CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775634754 577441431 /nfs/dbraw/zinc/44/14/31/577441431.db2.gz WIGKOQUFDIDTGY-GOSISDBHSA-N 2 0 345.487 2.214 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000775677823 577442562 /nfs/dbraw/zinc/44/25/62/577442562.db2.gz RSESKUSSUZQRHP-NRFANRHFSA-N 2 0 342.531 2.499 20 10 EECDRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765796335 577507330 /nfs/dbraw/zinc/50/73/30/577507330.db2.gz JLGFAKCAABLLJK-MJGOQNOKSA-N 2 0 346.519 2.381 20 10 EECDRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765796333 577507325 /nfs/dbraw/zinc/50/73/25/577507325.db2.gz JLGFAKCAABLLJK-IEBWSBKVSA-N 2 0 346.519 2.381 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)COC(C)=O)cc2F)CC1 ZINC000892906561 683186081 /nfs/dbraw/zinc/18/60/81/683186081.db2.gz SISIORMMROLVNI-CQSZACIVSA-N 2 0 337.439 2.009 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C)cc1C ZINC000987531825 689809108 /nfs/dbraw/zinc/80/91/08/689809108.db2.gz OKJMHRIJIPLOKI-SJLPKXTDSA-N 2 0 345.487 2.178 20 10 EECDRP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268463036 1182764647 /nfs/dbraw/zinc/76/46/47/1182764647.db2.gz UNMVATUIUZXAOU-SFHVURJKSA-N 2 0 347.503 2.426 20 10 EECDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000877019243 1199846435 /nfs/dbraw/zinc/84/64/35/1199846435.db2.gz INQGARUMZVVABL-UHFFFAOYSA-N 2 0 331.504 2.469 20 10 EECDRP COc1cccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001275271782 1205294485 /nfs/dbraw/zinc/29/44/85/1205294485.db2.gz YELVJQVOIJBXLS-CALCHBBNSA-N 2 0 347.503 2.106 20 10 EECDRP COc1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCC3(F)F)CC2)cc1 ZINC000903955666 1242707021 /nfs/dbraw/zinc/70/70/21/1242707021.db2.gz AAEBGFGJXFYNHZ-AWEZNQCLSA-N 2 0 339.430 2.498 20 10 EECDRP COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000781528311 1303814255 /nfs/dbraw/zinc/81/42/55/1303814255.db2.gz VJBMQQINGCZXFK-LJQANCHMSA-N 2 0 345.487 2.356 20 10 EECDRP Cc1cc(O)c(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236930433 1305733026 /nfs/dbraw/zinc/73/30/26/1305733026.db2.gz ANNVHIFWVUBWKK-OAHLLOKOSA-N 2 0 325.884 2.470 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[NH+](C)C)cc1 ZINC001122413954 1310278210 /nfs/dbraw/zinc/27/82/10/1310278210.db2.gz GZULDLCYFBRHRL-MSOLQXFVSA-N 2 0 332.492 2.004 20 10 EECDRP CCC[N@H+]1C[C@H]2CN(Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C[C@H]2C1 ZINC001139261074 1314723060 /nfs/dbraw/zinc/72/30/60/1314723060.db2.gz UEUUIWNONHEMJX-HDICACEKSA-N 2 0 347.503 2.236 20 10 EECDRP COc1cc(Cl)cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125425 1315849054 /nfs/dbraw/zinc/84/90/54/1315849054.db2.gz WEIKMLITNRSFKU-ZDUSSCGKSA-N 2 0 340.851 2.242 20 10 EECDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323738567 1333528768 /nfs/dbraw/zinc/52/87/68/1333528768.db2.gz AWVGAFWYLVRDAI-GOSISDBHSA-N 2 0 348.510 2.397 20 10 EECDRP Cn1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1C1CC1 ZINC001333855588 1336152158 /nfs/dbraw/zinc/15/21/58/1336152158.db2.gz WJAMIHKHKNQLHG-UHFFFAOYSA-N 2 0 339.487 2.339 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)C(C)(C)[NH+]2CCCCC2)cc1C ZINC001127322028 795400066 /nfs/dbraw/zinc/40/00/66/795400066.db2.gz JZCUBCAGKGZTMC-UHFFFAOYSA-N 2 0 347.503 2.474 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1C ZINC001130713525 811962960 /nfs/dbraw/zinc/96/29/60/811962960.db2.gz RKBKKOSUWKIDJK-GOSISDBHSA-N 2 0 347.503 2.330 20 10 EECDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1O ZINC000183405171 464861912 /nfs/dbraw/zinc/86/19/12/464861912.db2.gz MSRSCYWARAFXCC-HNNXBMFYSA-N 2 0 326.444 2.390 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@](C)(CO)c3ccccc3)cc2)CC1 ZINC000771853793 577234346 /nfs/dbraw/zinc/23/43/46/577234346.db2.gz PARKFHGCTYFYIH-OAQYLSRUSA-N 2 0 339.483 2.436 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192787833 1210593779 /nfs/dbraw/zinc/59/37/79/1210593779.db2.gz OQFQVMJCAJZPDQ-INIZCTEOSA-N 2 0 335.492 2.468 20 10 EECDRP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CC[N@@H+]2Cc1ccccc1O ZINC001277440831 1303026402 /nfs/dbraw/zinc/02/64/02/1303026402.db2.gz FUXSSMIQVBZOQD-XLIONFOSSA-N 2 0 345.487 2.157 20 10 EECDRP CCOC(=O)[C@]12C[N@H+](Cc3ccc(N(C)C)c(C)c3)C[C@H]1C[NH2+]CC2 ZINC001236037877 1305480565 /nfs/dbraw/zinc/48/05/65/1305480565.db2.gz DWQHINGVNWBPOK-YLJYHZDGSA-N 2 0 345.487 2.036 20 10 EECDRP COc1cc(O)c(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236930623 1305734316 /nfs/dbraw/zinc/73/43/16/1305734316.db2.gz CHXOZBWDGGMGHG-CYBMUJFWSA-N 2 0 341.883 2.170 20 10 EECDRP COc1cc(O)c(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC001236930624 1305734335 /nfs/dbraw/zinc/73/43/35/1305734335.db2.gz CHXOZBWDGGMGHG-ZDUSSCGKSA-N 2 0 341.883 2.170 20 10 EECDRP COc1cc(C[NH+]2CCC(n3ccnc3)CC2)cc(C[NH+](C)C)c1O ZINC001139257474 1314722287 /nfs/dbraw/zinc/72/22/87/1314722287.db2.gz CBDXFFBXEZNIRK-UHFFFAOYSA-N 2 0 344.459 2.496 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000841845874 1315621948 /nfs/dbraw/zinc/62/19/48/1315621948.db2.gz HMARYBSVHLDPBZ-RBUKOAKNSA-N 2 0 340.471 2.349 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001157894329 1318920603 /nfs/dbraw/zinc/92/06/03/1318920603.db2.gz ZVPLGKLZRDCTRQ-GOSISDBHSA-N 2 0 347.503 2.472 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C)cc1C ZINC001160427019 1320160831 /nfs/dbraw/zinc/16/08/31/1320160831.db2.gz LPBSNDMYXHBHOY-SFHVURJKSA-N 2 0 335.492 2.186 20 10 EECDRP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001161042387 1320365005 /nfs/dbraw/zinc/36/50/05/1320365005.db2.gz PRNBBFXJULEKHQ-KRWDZBQOSA-N 2 0 333.476 2.084 20 10 EECDRP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001276445079 1322063553 /nfs/dbraw/zinc/06/35/53/1322063553.db2.gz JZOCNXODXNRREH-UHFFFAOYSA-N 2 0 331.504 2.369 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)C3CCCCC3)cc2)CC1 ZINC001308286661 1331581126 /nfs/dbraw/zinc/58/11/26/1331581126.db2.gz OYEHUJIYEXOXTC-FQEVSTJZSA-N 2 0 331.504 2.469 20 10 EECDRP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326230790 1334048629 /nfs/dbraw/zinc/04/86/29/1334048629.db2.gz FVPNABQDCOIQBI-GOSISDBHSA-N 2 0 336.499 2.383 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CCCC[NH+]2CCCC2)cc1 ZINC000844162582 788905999 /nfs/dbraw/zinc/90/59/99/788905999.db2.gz IRHJWIASBNCNAX-GOSISDBHSA-N 2 0 332.492 2.135 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)cc1C ZINC001129328062 802592202 /nfs/dbraw/zinc/59/22/02/802592202.db2.gz LQYWHRQNSISTHH-GOSISDBHSA-N 2 0 347.503 2.187 20 10 EECDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001169091612 803618561 /nfs/dbraw/zinc/61/85/61/803618561.db2.gz SZQVKVYYKUGUAL-FNLKRUPLSA-N 3 0 328.504 2.153 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CCO)c3ccco3)cc2)CC1 ZINC000768946379 577566325 /nfs/dbraw/zinc/56/63/25/577566325.db2.gz NBPKCUUWMTVUKN-GOSISDBHSA-N 2 0 329.444 2.245 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000891246874 676240288 /nfs/dbraw/zinc/24/02/88/676240288.db2.gz QRAKYHKBFJRKOU-MSOLQXFVSA-N 2 0 346.519 2.344 20 10 EECDRP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001273284698 1197953368 /nfs/dbraw/zinc/95/33/68/1197953368.db2.gz KISZHDBWWYSNNR-LJQANCHMSA-N 2 0 349.450 2.050 20 10 EECDRP C[C@H](O)c1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)s1 ZINC000883283632 1202040328 /nfs/dbraw/zinc/04/03/28/1202040328.db2.gz MMKQWSGIFSLSGK-AWEZNQCLSA-N 2 0 346.500 2.238 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000925761088 1206151313 /nfs/dbraw/zinc/15/13/13/1206151313.db2.gz ADSLZHWZKVENQV-QHAWAJNXSA-N 3 0 342.531 2.449 20 10 EECDRP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1C ZINC001135102848 1278139844 /nfs/dbraw/zinc/13/98/44/1278139844.db2.gz PBMIKYMGXNQEEG-QZTJIDSGSA-N 2 0 345.487 2.226 20 10 EECDRP Cc1cccc(C[N@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c1O ZINC001273770105 1285289743 /nfs/dbraw/zinc/28/97/43/1285289743.db2.gz OBPVBDHCHUIQFP-HXUWFJFHSA-N 2 0 345.487 2.219 20 10 EECDRP COc1cc(C)c(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c(O)c1 ZINC001276807104 1298109775 /nfs/dbraw/zinc/10/97/75/1298109775.db2.gz ZKDSVILFHGETGJ-UHFFFAOYSA-N 2 0 347.503 2.169 20 10 EECDRP C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3c(O)ccc(F)c3Cl)[C@@H]2C1 ZINC001276837102 1299846724 /nfs/dbraw/zinc/84/67/24/1299846724.db2.gz FTKISXHQKYSTFL-SWLSCSKDSA-N 2 0 341.858 2.252 20 10 EECDRP CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)[C@@H]1C ZINC001235882077 1305437322 /nfs/dbraw/zinc/43/73/22/1305437322.db2.gz JOEKOXNGJROPPN-APWZRJJASA-N 2 0 345.487 2.260 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@H]1O ZINC001236930646 1305733760 /nfs/dbraw/zinc/73/37/60/1305733760.db2.gz DXMJUJAUCNRSMD-DNVCBOLYSA-N 2 0 335.467 2.170 20 10 EECDRP CC[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@H](C)C1 ZINC001236945690 1305742757 /nfs/dbraw/zinc/74/27/57/1305742757.db2.gz LXGYRVYFQMSBHF-MRXNPFEDSA-N 2 0 334.483 2.104 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1C[NH2+]C1CCC2(CCC[NH2+]C2)CC1 ZINC001246177044 1310253997 /nfs/dbraw/zinc/25/39/97/1310253997.db2.gz YLMXXWVYUQQTND-UHFFFAOYSA-N 3 0 342.531 2.498 20 10 EECDRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(C[NH+](C)C)c1O ZINC001139256651 1314722297 /nfs/dbraw/zinc/72/22/97/1314722297.db2.gz GFUJDARKGODOGF-UHFFFAOYSA-N 3 0 335.492 2.236 20 10 EECDRP COc1cc(CN2CC3(C2)C[C@H](F)CS3)cc(C[NH+](C)C)c1O ZINC001139259135 1314722973 /nfs/dbraw/zinc/72/29/73/1314722973.db2.gz JNJZGDIRFOLZDS-AWEZNQCLSA-N 2 0 340.464 2.492 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](O)(CF)CC3)cc2)CC1 ZINC001139407944 1314740169 /nfs/dbraw/zinc/74/01/69/1314740169.db2.gz HNJLUBKVDAZFEB-LJQANCHMSA-N 2 0 335.467 2.125 20 10 EECDRP COCC1(C[NH2+]Cc2cccc(Br)c2[O-])CC[NH2+]CC1 ZINC000841068572 1315466571 /nfs/dbraw/zinc/46/65/71/1315466571.db2.gz REDOZOPFCLKHDB-UHFFFAOYSA-N 2 0 343.265 2.261 20 10 EECDRP CN1CCN(c2ccc(C[N@H+](C)CC3CC[NH+](C)CC3)cc2F)CC1 ZINC001254011027 1317982245 /nfs/dbraw/zinc/98/22/45/1317982245.db2.gz RDCWEFHOUPCINY-UHFFFAOYSA-N 2 0 348.510 2.351 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3C[C@H](C)CC[C@@H]3C[NH3+])cc2)CC1 ZINC001205832035 1323312985 /nfs/dbraw/zinc/31/29/85/1323312985.db2.gz YZBJRFCNNCBBNQ-YLJYHZDGSA-N 3 0 330.520 2.388 20 10 EECDRP CN1CCCc2cc(C[N@@H+]3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)ccc21 ZINC001276580169 1324630365 /nfs/dbraw/zinc/63/03/65/1324630365.db2.gz HWPPMGUZWVJNGZ-SFTDATJTSA-N 2 0 342.531 2.279 20 10 EECDRP COc1cc(Cl)cc(C[NH+]2CCC(OCCC[NH3+])CC2)c1O ZINC000317356880 776242600 /nfs/dbraw/zinc/24/26/00/776242600.db2.gz AATWYLBIADGUMD-UHFFFAOYSA-N 2 0 328.840 2.384 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)cc2)CC1 ZINC000809767574 783338744 /nfs/dbraw/zinc/33/87/44/783338744.db2.gz ONCAQXZWFDZUSO-TZIWHRDSSA-N 3 0 342.531 2.355 20 10 EECDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935965 785083088 /nfs/dbraw/zinc/08/30/88/785083088.db2.gz RDTGRIMUYBFZKX-PBHICJAKSA-N 2 0 339.430 2.409 20 10 EECDRP CN(CC[NH+]1CCCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000846114416 790055421 /nfs/dbraw/zinc/05/54/21/790055421.db2.gz KUFMBHJFQSNQEH-UHFFFAOYSA-N 2 0 330.520 2.356 20 10 EECDRP COc1ccc(N2CCC(Nc3cc[nH+]cc3C(N)=O)CC2)cc1 ZINC000302030495 466082280 /nfs/dbraw/zinc/08/22/80/466082280.db2.gz NBVAATBZWCFSBA-UHFFFAOYSA-N 2 0 326.400 2.270 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823463 577232760 /nfs/dbraw/zinc/23/27/60/577232760.db2.gz CWARXCJOVSBXBV-AZUAARDMSA-N 3 0 328.504 2.155 20 10 EECDRP COc1cccc(O)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000757965939 577867396 /nfs/dbraw/zinc/86/73/96/577867396.db2.gz QQRQNYRAHCCEBE-UHFFFAOYSA-N 2 0 347.503 2.250 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001020928305 675587544 /nfs/dbraw/zinc/58/75/44/675587544.db2.gz BDPNFMJDSOIUEL-KZNAEPCWSA-N 2 0 345.487 2.082 20 10 EECDRP [NH3+]CCCOC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000220327629 684810941 /nfs/dbraw/zinc/81/09/41/684810941.db2.gz NPCRSHVDAMHJNC-UHFFFAOYSA-N 2 0 343.265 2.485 20 10 EECDRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1C ZINC000990275969 692802413 /nfs/dbraw/zinc/80/24/13/692802413.db2.gz GEVORUAJPFIOAD-GOSISDBHSA-N 2 0 345.487 2.178 20 10 EECDRP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1O ZINC001273284697 1197952963 /nfs/dbraw/zinc/95/29/63/1197952963.db2.gz KISZHDBWWYSNNR-IBGZPJMESA-N 2 0 349.450 2.050 20 10 EECDRP Cc1cc(C)c(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c(O)c1 ZINC001274214407 1204467190 /nfs/dbraw/zinc/46/71/90/1204467190.db2.gz XAIFTZWMEHHXSU-HXUWFJFHSA-N 2 0 345.487 2.138 20 10 EECDRP Oc1ccc(-c2ccc(F)cc2)cc1C[N@@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235064656 1305102640 /nfs/dbraw/zinc/10/26/40/1305102640.db2.gz SCHBQMFXKDYLIW-FQEVSTJZSA-N 2 0 341.430 2.336 20 10 EECDRP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1ccc2c(c1)OCO2 ZINC001235962804 1305457695 /nfs/dbraw/zinc/45/76/95/1305457695.db2.gz MNXZSCAPNGLYLW-UHFFFAOYSA-N 2 0 339.439 2.457 20 10 EECDRP CCCN(Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236322819 1305560149 /nfs/dbraw/zinc/56/01/49/1305560149.db2.gz CGNTZNPUXYYZDO-HXUWFJFHSA-N 2 0 330.520 2.402 20 10 EECDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C2CCC2)CC1 ZINC001236572290 1305599984 /nfs/dbraw/zinc/59/99/84/1305599984.db2.gz LSVKOGNIWAZITI-SAABIXHNSA-N 3 0 345.487 2.499 20 10 EECDRP CCCCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237015407 1305768313 /nfs/dbraw/zinc/76/83/13/1305768313.db2.gz KBBFKKCTOWQHCM-SFHVURJKSA-N 2 0 345.487 2.261 20 10 EECDRP CC[C@H]1CC([NH2+]Cc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](CC)[NH2+]1 ZINC001246172202 1310251997 /nfs/dbraw/zinc/25/19/97/1310251997.db2.gz GMQPFMLNFMDVEM-ROUUACIJSA-N 3 0 330.520 2.495 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)C[C@H](F)CS4)cc2)CC1 ZINC001139412859 1314741766 /nfs/dbraw/zinc/74/17/66/1314741766.db2.gz QHPPVENYWMWVIM-INIZCTEOSA-N 2 0 335.492 2.468 20 10 EECDRP COCCOc1ccc(N2CCN([C@H]3CCC[N@H+](C)CC3)CC2)cc1 ZINC001254529561 1318109168 /nfs/dbraw/zinc/10/91/68/1318109168.db2.gz NSWJRHCKWZRUEZ-SFHVURJKSA-N 2 0 347.503 2.318 20 10 EECDRP CCOC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001257038505 1318923418 /nfs/dbraw/zinc/92/34/18/1318923418.db2.gz PIMFJSHBHXDFMM-ROUUACIJSA-N 2 0 345.487 2.260 20 10 EECDRP COc1ccc(N2CC[NH+](CCCNc3cc[nH+]cc3)CC2)cc1 ZINC001164327505 1321352127 /nfs/dbraw/zinc/35/21/27/1321352127.db2.gz JPCIIWHUAQHVJP-UHFFFAOYSA-N 2 0 326.444 2.136 20 10 EECDRP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001752680811 1406335241 /nfs/dbraw/zinc/33/52/41/1406335241.db2.gz RCKCJEDOTPPMNF-QAQDUYKDSA-N 2 0 333.476 2.082 20 10 EECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc21 ZINC000817900867 785055065 /nfs/dbraw/zinc/05/50/65/785055065.db2.gz PRUZBGJTXYOYHF-CEXWTWQISA-N 2 0 329.488 2.316 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3cccc(F)c3)cc2)CC1 ZINC000905425901 1189722651 /nfs/dbraw/zinc/72/26/51/1189722651.db2.gz CRJXTUZRHSEKTO-FQEVSTJZSA-N 2 0 343.446 2.401 20 10 EECDRP CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814301509 1199428379 /nfs/dbraw/zinc/42/83/79/1199428379.db2.gz VRKRLHIRKBQRPE-QGZVFWFLSA-N 2 0 346.519 2.080 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnn(CC(F)F)c3)cc2)CC1 ZINC000883283733 1202040171 /nfs/dbraw/zinc/04/01/71/1202040171.db2.gz RBUUMKXHASMQOU-UHFFFAOYSA-N 2 0 349.429 2.190 20 10 EECDRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883290682 1202041147 /nfs/dbraw/zinc/04/11/47/1202041147.db2.gz CDWVBNXGZGNVOQ-HXUWFJFHSA-N 2 0 341.503 2.449 20 10 EECDRP CN(C)c1cc(F)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1F ZINC000858126605 1294014834 /nfs/dbraw/zinc/01/48/34/1294014834.db2.gz CPPGKTDQBKCXAT-UHFFFAOYSA-N 2 0 340.462 2.148 20 10 EECDRP C[NH+]1CC2(C1)CCCN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)C2 ZINC001276791121 1297736082 /nfs/dbraw/zinc/73/60/82/1297736082.db2.gz YBGSIXQFFBZNIL-UHFFFAOYSA-N 2 0 346.494 2.105 20 10 EECDRP [NH3+][C@H](CC(=O)Nc1ccc2c(c1)CC[NH2+]CC2)c1ccccc1O ZINC001218937225 1297873171 /nfs/dbraw/zinc/87/31/71/1297873171.db2.gz OJZORSAMRACEJP-QGZVFWFLSA-N 2 0 325.412 2.109 20 10 EECDRP CCOC(=O)[C@@]12C[N@H+](Cc3ccc(N(C)C)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001222125190 1299371893 /nfs/dbraw/zinc/37/18/93/1299371893.db2.gz HICGELUNTLNSEN-PXNSSMCTSA-N 2 0 345.487 2.117 20 10 EECDRP CC[N@H+](C)C1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139260667 1314722881 /nfs/dbraw/zinc/72/28/81/1314722881.db2.gz OPZCJHNSNKEZQR-UHFFFAOYSA-N 2 0 335.492 2.379 20 10 EECDRP Cc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1N(C)C ZINC001139672821 1314756951 /nfs/dbraw/zinc/75/69/51/1314756951.db2.gz HPVPWAQVVSPBTG-UHFFFAOYSA-N 2 0 330.520 2.274 20 10 EECDRP CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841003976 1315453061 /nfs/dbraw/zinc/45/30/61/1315453061.db2.gz JKLSTNSKPHFWHL-GOSISDBHSA-N 2 0 346.519 2.162 20 10 EECDRP C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205626251 1323220420 /nfs/dbraw/zinc/22/04/20/1323220420.db2.gz FBBNGPMPEODWAN-SJLPKXTDSA-N 2 0 331.504 2.455 20 10 EECDRP CCc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1O ZINC000848911442 1338805217 /nfs/dbraw/zinc/80/52/17/1338805217.db2.gz VJMKXEZNEIKBTE-UHFFFAOYSA-N 2 0 331.504 2.414 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC3)OCCCO4)cc2)CC1 ZINC000816646074 784165905 /nfs/dbraw/zinc/16/59/05/784165905.db2.gz VQNPCASRRCQBKY-UHFFFAOYSA-N 2 0 345.487 2.167 20 10 EECDRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCc4cccc(O)c43)ccn2)CC1 ZINC000296001794 465047786 /nfs/dbraw/zinc/04/77/86/465047786.db2.gz OKGFONGVEAVPKL-QGZVFWFLSA-N 2 0 338.455 2.316 20 10 EECDRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278316750 463961151 /nfs/dbraw/zinc/96/11/51/463961151.db2.gz XLZUKXIWDQBHSL-CYBMUJFWSA-N 2 0 337.420 2.473 20 10 EECDRP COc1c([O-])c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490498 464120957 /nfs/dbraw/zinc/12/09/57/464120957.db2.gz ONMHBTICUBCLHW-GXTWGEPZSA-N 2 0 335.404 2.225 20 10 EECDRP C[NH+](C)CCOC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000738206802 578003731 /nfs/dbraw/zinc/00/37/31/578003731.db2.gz BRFDORGPUOVWHY-UHFFFAOYSA-N 2 0 329.444 2.483 20 10 EECDRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289321 1202041190 /nfs/dbraw/zinc/04/11/90/1202041190.db2.gz KYDWDBBWCWUMRP-JXFKEZNVSA-N 2 0 328.504 2.011 20 10 EECDRP Cc1cc(O)c(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1Cl ZINC001276371988 1228889651 /nfs/dbraw/zinc/88/96/51/1228889651.db2.gz DHLHUUUUPUVVQG-WMLDXEAASA-N 2 0 337.895 2.422 20 10 EECDRP CN(C)c1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N(C)C)cc1 ZINC000902518403 1237777390 /nfs/dbraw/zinc/77/73/90/1237777390.db2.gz QKWSCHMYZVLIEV-RMJJICAUSA-N 2 0 330.520 2.333 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC2(CCCC[NH2+]2)CC1 ZINC001222292690 1299459465 /nfs/dbraw/zinc/45/94/65/1299459465.db2.gz INLUBGXOEYAISV-UHFFFAOYSA-N 2 0 328.504 2.204 20 10 EECDRP C[NH+](C)CCN(Cc1ccc(N2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236923877 1305729690 /nfs/dbraw/zinc/72/96/90/1305729690.db2.gz MLNZUBXWWOZHGH-HXUWFJFHSA-N 2 0 330.520 2.402 20 10 EECDRP CN(C)c1ccc([C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC001122414430 1310277586 /nfs/dbraw/zinc/27/75/86/1310277586.db2.gz QMLSXDQWAWKDDO-NOBUEJQNSA-N 2 0 344.503 2.027 20 10 EECDRP COc1cc(C[NH+]2CCC3(C[C@H]3CCO)CC2)cc(C[NH+](C)C)c1O ZINC001139254716 1314721989 /nfs/dbraw/zinc/72/19/89/1314721989.db2.gz LFGZTJUTFLZSPZ-QGZVFWFLSA-N 2 0 348.487 2.447 20 10 EECDRP COc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc(C[NH+](C)C)c1O ZINC001139257643 1314722130 /nfs/dbraw/zinc/72/21/30/1314722130.db2.gz ZSKBQKLKLRUPLS-KRWDZBQOSA-N 2 0 333.476 2.133 20 10 EECDRP COc1cc(C[N@@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256091 1314722168 /nfs/dbraw/zinc/72/21/68/1314722168.db2.gz SSUDJFROZMFZNM-LIRRHRJNSA-N 2 0 336.476 2.445 20 10 EECDRP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](C)CC3)cc2)CC1 ZINC001140301964 1314860860 /nfs/dbraw/zinc/86/08/60/1314860860.db2.gz FZEYXCBFLOOYNX-FXAWDEMLSA-N 2 0 331.504 2.421 20 10 EECDRP COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000840975721 1315449393 /nfs/dbraw/zinc/44/93/93/1315449393.db2.gz QIFNFLIKPIFRKD-HXUWFJFHSA-N 2 0 345.487 2.214 20 10 EECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000841845875 1315622159 /nfs/dbraw/zinc/62/21/59/1315622159.db2.gz HMARYBSVHLDPBZ-RTBURBONSA-N 2 0 340.471 2.349 20 10 EECDRP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cc2F)CC1 ZINC001328413406 1334456412 /nfs/dbraw/zinc/45/64/12/1334456412.db2.gz QXZZEHMIGVTFLF-INIZCTEOSA-N 2 0 334.483 2.138 20 10 EECDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001329710069 1334700682 /nfs/dbraw/zinc/70/06/82/1334700682.db2.gz HDBKHVFFLVDNEI-AWEZNQCLSA-N 2 0 329.435 2.477 20 10 EECDRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000832280533 1372423543 /nfs/dbraw/zinc/42/35/43/1372423543.db2.gz PBULEURKWLXEMS-UGSOOPFHSA-N 2 0 326.444 2.202 20 10 EECDRP CN1CCCc2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc21 ZINC000817900870 785055443 /nfs/dbraw/zinc/05/54/43/785055443.db2.gz PRUZBGJTXYOYHF-IPMKNSEASA-N 2 0 329.488 2.316 20 10 EECDRP C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000817899962 785055478 /nfs/dbraw/zinc/05/54/78/785055478.db2.gz NRAMNLUEOLVWBB-TZMCWYRMSA-N 2 0 325.403 2.454 20 10 EECDRP CCOC(=O)C(=Cc1cc(C)c(C)nc1N[C@@H]([NH3+])CCC[NH3+])N=[N+]=[N-] ZINC001170897764 785237123 /nfs/dbraw/zinc/23/71/23/785237123.db2.gz KBEOEBURWWYTFO-RNQWEJQRSA-N 2 0 347.423 2.348 20 10 EECDRP CN(C)c1ccc([C@@H](CNC(=O)CCC2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC001523581119 1119813975 /nfs/dbraw/zinc/81/39/75/1119813975.db2.gz NDQLKSFVOOHQEO-LJQANCHMSA-N 2 0 346.519 2.251 20 10 EECDRP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1C ZINC001022292817 676800214 /nfs/dbraw/zinc/80/02/14/676800214.db2.gz QRTJSVVBWQOEGN-KSZLIROESA-N 2 0 345.487 2.225 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CCCC[C@@H]3O)cc2)CC1 ZINC000897536716 691182460 /nfs/dbraw/zinc/18/24/60/691182460.db2.gz RASLMXIOPHHHQU-ICSRJNTNSA-N 2 0 331.504 2.469 20 10 EECDRP CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000814301508 1199428137 /nfs/dbraw/zinc/42/81/37/1199428137.db2.gz VRKRLHIRKBQRPE-KRWDZBQOSA-N 2 0 346.519 2.080 20 10 EECDRP CCc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000883283849 1202040226 /nfs/dbraw/zinc/04/02/26/1202040226.db2.gz VNEJKYKSPFHSPS-UHFFFAOYSA-N 2 0 325.460 2.081 20 10 EECDRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([S@@](C)=O)C3)cc2)CC1 ZINC000850355764 1277195636 /nfs/dbraw/zinc/19/56/36/1277195636.db2.gz LIQGXAGODLKBQZ-ROMRWMGNSA-N 2 0 349.544 2.218 20 10 EECDRP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000850406909 1277216852 /nfs/dbraw/zinc/21/68/52/1277216852.db2.gz YRISBHZRDIQSHV-MJGOQNOKSA-N 2 0 329.488 2.364 20 10 EECDRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)cc1C ZINC001216851580 1297312617 /nfs/dbraw/zinc/31/26/17/1297312617.db2.gz AVHHBUMCPLHBCF-SJLPKXTDSA-N 2 0 347.503 2.280 20 10 EECDRP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222389870 1299532931 /nfs/dbraw/zinc/53/29/31/1299532931.db2.gz HTECNIYPQMGRBT-FQEVSTJZSA-N 2 0 328.504 2.204 20 10 EECDRP CCCC[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC001236141398 1305509204 /nfs/dbraw/zinc/50/92/04/1305509204.db2.gz ZBRHGHSBUGXRPP-LJQANCHMSA-N 2 0 330.520 2.402 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCC4)C3)c(F)c2)CC1 ZINC001236938152 1305736523 /nfs/dbraw/zinc/73/65/23/1305736523.db2.gz KFQSPWWVUBVFMG-LJQANCHMSA-N 2 0 346.494 2.248 20 10 EECDRP CC[N@H+](CCn1ccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236946224 1305742412 /nfs/dbraw/zinc/74/24/12/1305742412.db2.gz MVYFMWUAWPAWIQ-UHFFFAOYSA-N 2 0 345.466 2.296 20 10 EECDRP C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc2c1OCO2 ZINC001237015410 1305768050 /nfs/dbraw/zinc/76/80/50/1305768050.db2.gz KBSDQZNEMMNQAR-UHFFFAOYSA-N 2 0 339.439 2.457 20 10 EECDRP COc1cc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139258327 1314722847 /nfs/dbraw/zinc/72/28/47/1314722847.db2.gz POELWJFOCQMZRZ-ZYGGUILKSA-N 2 0 332.444 2.072 20 10 EECDRP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@]1(C)O ZINC001139409109 1314741030 /nfs/dbraw/zinc/74/10/30/1314741030.db2.gz WRRVXWIBSCWVSO-XLIONFOSSA-N 2 0 331.504 2.421 20 10 EECDRP C[NH+]1CCN(c2ccc(C[N@@H+]3CC(C)(C)C[C@@]3(C)CO)cc2)CC1 ZINC001139409222 1314741129 /nfs/dbraw/zinc/74/11/29/1314741129.db2.gz XAIQJMKNNRLOIW-FQEVSTJZSA-N 2 0 331.504 2.421 20 10 EECDRP CC[NH+]1CCN(c2ccc(CN3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC001140300763 1314859122 /nfs/dbraw/zinc/85/91/22/1314859122.db2.gz RYUYAXIWFCUWSZ-UHFFFAOYSA-N 2 0 330.520 2.355 20 10 EECDRP COc1ccc(O)c([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000839538740 1315213115 /nfs/dbraw/zinc/21/31/15/1315213115.db2.gz FGIJOTPVTGJFEB-AWEZNQCLSA-N 2 0 349.475 2.040 20 10 EECDRP Cc1ccc(O)c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000840830035 1315419070 /nfs/dbraw/zinc/41/90/70/1315419070.db2.gz BGLGQDFJTILVOS-QGZVFWFLSA-N 2 0 347.503 2.148 20 10 EECDRP C[NH+]1CCN(c2ccc(CN3C[C@H]([NH3+])Cc4ccccc43)cc2)CC1 ZINC000841106224 1315477248 /nfs/dbraw/zinc/47/72/48/1315477248.db2.gz IEOSCRPQJDAZLG-LJQANCHMSA-N 2 0 336.483 2.328 20 10 EECDRP C[C@H](C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000841846073 1315622051 /nfs/dbraw/zinc/62/20/51/1315622051.db2.gz JOVJMTIPSJRWAX-ZOCIIQOWSA-N 2 0 340.471 2.205 20 10 EECDRP Cc1cc(O)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1C ZINC000816620222 784156217 /nfs/dbraw/zinc/15/62/17/784156217.db2.gz MSZQOPPNLRGKPK-UHFFFAOYSA-N 2 0 333.476 2.091 20 10 EECDRP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C[NH3+] ZINC000817865984 785032659 /nfs/dbraw/zinc/03/26/59/785032659.db2.gz QUYLOJGHKHNWOV-INMHGKMJSA-N 2 0 335.467 2.468 20 10 EECDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2C)CC[NH2+]CC1 ZINC000817894848 785049705 /nfs/dbraw/zinc/04/97/05/785049705.db2.gz QTIVHDURNDHTIL-INIZCTEOSA-N 2 0 347.503 2.472 20 10 EECDRP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1O ZINC000817973251 785124161 /nfs/dbraw/zinc/12/41/61/785124161.db2.gz RTDKTKGVOXMWID-HIFRSBDPSA-N 2 0 331.382 2.269 20 10 EECDRP C[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1CC[NH3+] ZINC000844902041 789444108 /nfs/dbraw/zinc/44/41/08/789444108.db2.gz NCIMFLJXWUIXKL-YLJYHZDGSA-N 3 0 330.520 2.388 20 10 EECDRP COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001146396544 791232997 /nfs/dbraw/zinc/23/29/97/791232997.db2.gz ASXNVVGFPTWQBH-IAGOWNOFSA-N 2 0 347.503 2.472 20 10 EECDRP