smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(F)cc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1O ZINC001238066656 1306207946 /nfs/dbraw/zinc/20/79/46/1306207946.db2.gz IHYORLLFOTWHBX-UHFFFAOYSA-N 1 3 335.467 2.299 20 10 EECDHO COc1cc(CN2CCC[C@@](O)(CF)CC2)cc(C[NH+](C)C)c1O ZINC001139253323 1314721408 /nfs/dbraw/zinc/72/14/08/1314721408.db2.gz QTVSHRHPEDGVCU-SFHVURJKSA-N 1 3 340.439 2.149 20 10 EECDHO CC[N@H+](C)C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001139411054 1314740965 /nfs/dbraw/zinc/74/09/65/1314740965.db2.gz RYSRLSCFBMNHLF-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO CC[N@@H+](C)C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001139411054 1314740967 /nfs/dbraw/zinc/74/09/67/1314740967.db2.gz RYSRLSCFBMNHLF-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001755236116 1407244501 /nfs/dbraw/zinc/24/45/01/1407244501.db2.gz DNYUCVQXIQPBCC-CVEARBPZSA-N 1 3 347.503 2.471 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC000969947285 675332467 /nfs/dbraw/zinc/33/24/67/675332467.db2.gz CTYAPOUGKIZNFP-FUHWJXTLSA-N 1 3 345.487 2.178 20 10 EECDHO CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@@H+]1C ZINC000891248523 676242775 /nfs/dbraw/zinc/24/27/75/676242775.db2.gz XZMRMUZWNVAHEM-IPMKNSEASA-N 1 3 346.519 2.202 20 10 EECDHO CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@H+]1C ZINC000891248523 676242777 /nfs/dbraw/zinc/24/27/77/676242777.db2.gz XZMRMUZWNVAHEM-IPMKNSEASA-N 1 3 346.519 2.202 20 10 EECDHO CCN(CC)c1ccc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843121735 1315847960 /nfs/dbraw/zinc/84/79/60/1315847960.db2.gz JITBRHWCEGYXMD-IBGZPJMESA-N 1 3 346.519 2.352 20 10 EECDHO Cc1nccn1CCC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809752908 783362452 /nfs/dbraw/zinc/36/24/52/783362452.db2.gz KGNXJEPQZCEQPW-UHFFFAOYSA-N 1 3 341.503 2.465 20 10 EECDHO Cc1nccn1CCC[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809752908 783362462 /nfs/dbraw/zinc/36/24/62/783362462.db2.gz KGNXJEPQZCEQPW-UHFFFAOYSA-N 1 3 341.503 2.465 20 10 EECDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817888818 785024358 /nfs/dbraw/zinc/02/43/58/785024358.db2.gz PBXKMEFHSTYOTN-WBAXXEDZSA-N 1 3 335.517 2.082 20 10 EECDHO CCc1ccc(CN(CC[NH3+])C(=O)C[C@@H]([NH3+])c2ccccc2[O-])cc1 ZINC001220905285 1298580272 /nfs/dbraw/zinc/58/02/72/1298580272.db2.gz RWCXPWOKNGMZCV-GOSISDBHSA-N 1 3 341.455 2.332 20 10 EECDHO COc1cc(CN2CCN(C3CCC3)CC2)cc(C[NH+](C)C)c1O ZINC001139253341 1314721714 /nfs/dbraw/zinc/72/17/14/1314721714.db2.gz RJWQXSJNTYXZGL-UHFFFAOYSA-N 1 3 333.476 2.133 20 10 EECDHO CCC[NH+]1C[C@@H]2CN(Cc3ccc(N4CCN(C)CC4)cc3)C[C@H]2C1 ZINC001139410759 1314740483 /nfs/dbraw/zinc/74/04/83/1314740483.db2.gz CKMOYKFVTMADLM-WOJBJXKFSA-N 1 3 342.531 2.212 20 10 EECDHO CC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CCN(C)CC1 ZINC001139409597 1314740835 /nfs/dbraw/zinc/74/08/35/1314740835.db2.gz MUJUXIXFEYILTH-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO CC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)C1CCN(C)CC1 ZINC001139409597 1314740838 /nfs/dbraw/zinc/74/08/38/1314740838.db2.gz MUJUXIXFEYILTH-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO COC[C@]1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCCN1 ZINC000841068099 1315467273 /nfs/dbraw/zinc/46/72/73/1315467273.db2.gz VAFOQZDKFFVTIT-LJQANCHMSA-N 1 3 333.476 2.022 20 10 EECDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Br ZINC001205247163 1322330250 /nfs/dbraw/zinc/33/02/50/1322330250.db2.gz CBQNIIOOBSDRRW-OAHLLOKOSA-N 1 3 343.265 2.139 20 10 EECDHO Cc1cc([O-])c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Br ZINC001205247163 1322330253 /nfs/dbraw/zinc/33/02/53/1322330253.db2.gz CBQNIIOOBSDRRW-OAHLLOKOSA-N 1 3 343.265 2.139 20 10 EECDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@@H+]1C ZINC001318723872 1332583117 /nfs/dbraw/zinc/58/31/17/1332583117.db2.gz FKAUPDXRZVGROR-WBVHZDCISA-N 1 3 334.483 2.150 20 10 EECDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@H+]1C ZINC001318723872 1332583119 /nfs/dbraw/zinc/58/31/19/1332583119.db2.gz FKAUPDXRZVGROR-WBVHZDCISA-N 1 3 334.483 2.150 20 10 EECDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001318723872 1332583122 /nfs/dbraw/zinc/58/31/22/1332583122.db2.gz FKAUPDXRZVGROR-WBVHZDCISA-N 1 3 334.483 2.150 20 10 EECDHO C[C@@H]1C[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000151559875 463552362 /nfs/dbraw/zinc/55/23/62/463552362.db2.gz IPZVKBQDRSBWTK-VQIMIIECSA-N 1 3 331.504 2.468 20 10 EECDHO C[C@@H]1C[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000151559875 463552366 /nfs/dbraw/zinc/55/23/66/463552366.db2.gz IPZVKBQDRSBWTK-VQIMIIECSA-N 1 3 331.504 2.468 20 10 EECDHO CN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000373247874 466742381 /nfs/dbraw/zinc/74/23/81/466742381.db2.gz UGSDTKXOTKVDNH-FQEVSTJZSA-N 1 3 330.520 2.353 20 10 EECDHO CN(C)c1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000373247874 466742385 /nfs/dbraw/zinc/74/23/85/466742385.db2.gz UGSDTKXOTKVDNH-FQEVSTJZSA-N 1 3 330.520 2.353 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000775669192 577442264 /nfs/dbraw/zinc/44/22/64/577442264.db2.gz UKFMTBDSNNOOOB-HXUWFJFHSA-N 1 3 328.504 2.109 20 10 EECDHO COc1ccc(N2CCN(CCCNc3cc[nH+]cc3C)CC2)cc1 ZINC000757704642 577862874 /nfs/dbraw/zinc/86/28/74/577862874.db2.gz USVVRSOSTZGFNP-UHFFFAOYSA-N 1 3 340.471 2.445 20 10 EECDHO [NH3+][C@H](CC(=O)NCC1(CC2CCC2)CC[NH2+]CC1)c1ccccc1[O-] ZINC001221130040 1298677482 /nfs/dbraw/zinc/67/74/82/1298677482.db2.gz FDGMVHHFGSUNMD-QGZVFWFLSA-N 1 3 345.487 2.458 20 10 EECDHO COC(=O)Cc1ccc(C[NH+]2CCC3(CC[N@H+](C)C3)CC2)c([O-])c1 ZINC001277421268 1302950434 /nfs/dbraw/zinc/95/04/34/1302950434.db2.gz RTAAHRXFWDHMPO-UHFFFAOYSA-N 1 3 332.444 2.025 20 10 EECDHO COC(=O)Cc1ccc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)c([O-])c1 ZINC001277421268 1302950438 /nfs/dbraw/zinc/95/04/38/1302950438.db2.gz RTAAHRXFWDHMPO-UHFFFAOYSA-N 1 3 332.444 2.025 20 10 EECDHO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000841005279 1315452800 /nfs/dbraw/zinc/45/28/00/1315452800.db2.gz KKALZDRURJUCGH-GOSISDBHSA-N 1 3 346.519 2.160 20 10 EECDHO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000841005279 1315452804 /nfs/dbraw/zinc/45/28/04/1315452804.db2.gz KKALZDRURJUCGH-GOSISDBHSA-N 1 3 346.519 2.160 20 10 EECDHO [NH3+]CCc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000841031890 1315459278 /nfs/dbraw/zinc/45/92/78/1315459278.db2.gz AHYSLDLRKRBBHW-UHFFFAOYSA-N 1 3 343.446 2.453 20 10 EECDHO COCCOc1ccc(N2CC[NH+]([C@@H]3CCCN(C)CC3)CC2)cc1 ZINC001254529560 1318110296 /nfs/dbraw/zinc/11/02/96/1318110296.db2.gz NSWJRHCKWZRUEZ-GOSISDBHSA-N 1 3 347.503 2.318 20 10 EECDHO CN(C)C(=O)C1CCN(C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001203552871 1321911029 /nfs/dbraw/zinc/91/10/29/1321911029.db2.gz SZDCRBMLGNIYLQ-UHFFFAOYSA-N 1 3 345.487 2.157 20 10 EECDHO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1[O-] ZINC001579155633 1344345350 /nfs/dbraw/zinc/34/53/50/1344345350.db2.gz RQEMJGRTAPMWOP-AWEZNQCLSA-N 1 3 340.851 2.303 20 10 EECDHO C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000817974140 785125552 /nfs/dbraw/zinc/12/55/52/785125552.db2.gz ZHCZDBAANRELSA-YGRLFVJLSA-N 1 3 335.345 2.018 20 10 EECDHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC000999490077 794591235 /nfs/dbraw/zinc/59/12/35/794591235.db2.gz OKKUUITZIHRQTD-QZTJIDSGSA-N 1 3 347.503 2.424 20 10 EECDHO CO[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F ZINC000771839508 577233625 /nfs/dbraw/zinc/23/36/25/577233625.db2.gz WPFVQWWGMCJDSS-HNNXBMFYSA-N 1 3 331.382 2.105 20 10 EECDHO CC[N@H+](C)C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775726598 577443983 /nfs/dbraw/zinc/44/39/83/577443983.db2.gz USROIWYMYLCDCN-LJQANCHMSA-N 1 3 330.520 2.212 20 10 EECDHO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775726598 577443984 /nfs/dbraw/zinc/44/39/84/577443984.db2.gz USROIWYMYLCDCN-LJQANCHMSA-N 1 3 330.520 2.212 20 10 EECDHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251031 676247275 /nfs/dbraw/zinc/24/72/75/676247275.db2.gz BYGNJYJLVYZBSY-MDZRGWNJSA-N 1 3 346.519 2.344 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001022714295 678308482 /nfs/dbraw/zinc/30/84/82/678308482.db2.gz SZTZXXZPHTXERP-JCGIZDLHSA-N 1 3 345.487 2.082 20 10 EECDHO CCN1CCN(c2ccc(O[C@@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC001218451067 1297667312 /nfs/dbraw/zinc/66/73/12/1297667312.db2.gz CDZABMAQHLTXEO-MRXNPFEDSA-N 1 3 325.403 2.205 20 10 EECDHO CCOC(=O)[C@@]12C[N@H+](Cc3c(C)cccc3O)C[C@@H]1CNCCC2 ZINC001222136282 1299380371 /nfs/dbraw/zinc/38/03/71/1299380371.db2.gz PDDYQMMIGKOLNC-KXBFYZLASA-N 1 3 332.444 2.065 20 10 EECDHO CCOC(=O)[C@@]12C[N@@H+](Cc3c(C)cccc3O)C[C@@H]1CNCCC2 ZINC001222136282 1299380385 /nfs/dbraw/zinc/38/03/85/1299380385.db2.gz PDDYQMMIGKOLNC-KXBFYZLASA-N 1 3 332.444 2.065 20 10 EECDHO COc1cc(CN2CCC[C@](O)(CF)CC2)cc(C[NH+](C)C)c1O ZINC001139253322 1314721642 /nfs/dbraw/zinc/72/16/42/1314721642.db2.gz QTVSHRHPEDGVCU-GOSISDBHSA-N 1 3 340.439 2.149 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](F)[C@@H](O)CC3)cc2)CC1 ZINC001140302171 1314860156 /nfs/dbraw/zinc/86/01/56/1314860156.db2.gz LRDJMMKRZYUVEF-MOPGFXCFSA-N 1 3 335.467 2.123 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H](O)CC3)cc2)CC1 ZINC001140302171 1314860163 /nfs/dbraw/zinc/86/01/63/1314860163.db2.gz LRDJMMKRZYUVEF-MOPGFXCFSA-N 1 3 335.467 2.123 20 10 EECDHO COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)CN(C)C(C)C)C2)cc1C ZINC001755484314 1407519269 /nfs/dbraw/zinc/51/92/69/1407519269.db2.gz PFIRRBGNYMBXIL-IYARVYRRSA-N 1 3 347.503 2.328 20 10 EECDHO Cc1cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])cc1Br ZINC001205255550 801478063 /nfs/dbraw/zinc/47/80/63/801478063.db2.gz JZSCCWXHAAYBOS-HNNXBMFYSA-N 1 3 343.265 2.139 20 10 EECDHO Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c([O-])cc1Br ZINC001205255550 801478081 /nfs/dbraw/zinc/47/80/81/801478081.db2.gz JZSCCWXHAAYBOS-HNNXBMFYSA-N 1 3 343.265 2.139 20 10 EECDHO CCN(C)c1ccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)cc1 ZINC000773773441 577364088 /nfs/dbraw/zinc/36/40/88/577364088.db2.gz RCKPVXRJEPRKGN-UHFFFAOYSA-N 1 3 346.519 2.033 20 10 EECDHO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092253633 1214414555 /nfs/dbraw/zinc/41/45/55/1214414555.db2.gz YHDGPDLBSLWFRA-QGZVFWFLSA-N 1 3 335.467 2.436 20 10 EECDHO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092253633 1214414560 /nfs/dbraw/zinc/41/45/60/1214414560.db2.gz YHDGPDLBSLWFRA-QGZVFWFLSA-N 1 3 335.467 2.436 20 10 EECDHO CCC[C@H]1CN(Cc2ccc(N3CCN(CC)CC3)cc2)CC[NH2+]1 ZINC001236178856 1305524579 /nfs/dbraw/zinc/52/45/79/1305524579.db2.gz UZLLPNNLQUFAGX-IBGZPJMESA-N 1 3 330.520 2.402 20 10 EECDHO CN1CCN(c2ccc(CN(C3CC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238859 1305541409 /nfs/dbraw/zinc/54/14/09/1305541409.db2.gz HMJHIVGKORAOQB-HXUWFJFHSA-N 1 3 328.504 2.155 20 10 EECDHO C[C@@H]1CC[N@H+](CCNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001318805655 1332601779 /nfs/dbraw/zinc/60/17/79/1332601779.db2.gz PJIJKRXPPGBWNW-MRXNPFEDSA-N 1 3 334.483 2.009 20 10 EECDHO C[C@@H]1CC[N@@H+](CCNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001318805655 1332601782 /nfs/dbraw/zinc/60/17/82/1332601782.db2.gz PJIJKRXPPGBWNW-MRXNPFEDSA-N 1 3 334.483 2.009 20 10 EECDHO C[C@@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893794 785048663 /nfs/dbraw/zinc/04/86/63/785048663.db2.gz HXZUXQSHIIBVID-UZLBHIALSA-N 1 3 331.504 2.373 20 10 EECDHO CCN1CCN(c2ccc(CN[C@H]3CC[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000817902289 785055672 /nfs/dbraw/zinc/05/56/72/785055672.db2.gz MKIQPJLDXNJAFH-APWZRJJASA-N 1 3 348.510 2.445 20 10 EECDHO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000825336976 788577981 /nfs/dbraw/zinc/57/79/81/788577981.db2.gz BMJNVTXCOZWLMH-FQEVSTJZSA-N 1 3 330.520 2.353 20 10 EECDHO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000825336976 788577991 /nfs/dbraw/zinc/57/79/91/788577991.db2.gz BMJNVTXCOZWLMH-FQEVSTJZSA-N 1 3 330.520 2.353 20 10 EECDHO CCOc1cccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000377629028 467101040 /nfs/dbraw/zinc/10/10/40/467101040.db2.gz PAAJMZCFFQBTGW-SFHVURJKSA-N 1 3 347.503 2.391 20 10 EECDHO CCOc1cccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1O ZINC000377629028 467101043 /nfs/dbraw/zinc/10/10/43/467101043.db2.gz PAAJMZCFFQBTGW-SFHVURJKSA-N 1 3 347.503 2.391 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000775742332 577444432 /nfs/dbraw/zinc/44/44/32/577444432.db2.gz UEWQWQKBMLSYMB-FPOVZHCZSA-N 1 3 342.531 2.355 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000775742332 577444433 /nfs/dbraw/zinc/44/44/33/577444433.db2.gz UEWQWQKBMLSYMB-FPOVZHCZSA-N 1 3 342.531 2.355 20 10 EECDHO C[C@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000765886429 577508637 /nfs/dbraw/zinc/50/86/37/577508637.db2.gz TZRGFNSQMREGTO-INIZCTEOSA-N 1 3 346.519 2.346 20 10 EECDHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001186496596 1279116688 /nfs/dbraw/zinc/11/66/88/1279116688.db2.gz MKDGWGWXUDLSLP-QGZVFWFLSA-N 1 3 333.476 2.036 20 10 EECDHO Nc1ccc(N(Cc2ccccc2)C(=O)[C@H](N)C2CC[NH2+]CC2)cc1 ZINC001218955915 1297880936 /nfs/dbraw/zinc/88/09/36/1297880936.db2.gz RDEOWDGOOYPPCP-LJQANCHMSA-N 1 3 338.455 2.129 20 10 EECDHO CN1CCN(c2ccc(CN3CCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243893 1299435094 /nfs/dbraw/zinc/43/50/94/1299435094.db2.gz QOBAJFVILCIHHK-HXUWFJFHSA-N 1 3 328.504 2.156 20 10 EECDHO CCN1CCN(c2ccc(CN3CC4(C3)CCCC[NH2+]4)cc2)CC1 ZINC001235920802 1305447478 /nfs/dbraw/zinc/44/74/78/1305447478.db2.gz DUOHPXWPFBGEGA-UHFFFAOYSA-N 1 3 328.504 2.156 20 10 EECDHO CN(C)c1ccc(CN2C[C@H]3COC[C@@H](C2)C3[NH3+])c2ccccc21 ZINC001235992684 1305469629 /nfs/dbraw/zinc/46/96/29/1305469629.db2.gz KTSVKVHKPVYLNB-NYTJIUQPSA-N 1 3 325.456 2.311 20 10 EECDHO COc1cc(CN2CCC[C@@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139254653 1314721901 /nfs/dbraw/zinc/72/19/01/1314721901.db2.gz KKVCBBICWGMNTB-LJQANCHMSA-N 1 3 334.460 2.465 20 10 EECDHO [O-]c1cc(O)ccc1C[NH+]1CCC(COCC[NH+]2CCCC2)CC1 ZINC001204272287 1322099427 /nfs/dbraw/zinc/09/94/27/1322099427.db2.gz MHFJNBFECZKIDX-UHFFFAOYSA-N 1 3 334.460 2.422 20 10 EECDHO [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001205248702 1322330123 /nfs/dbraw/zinc/33/01/23/1322330123.db2.gz RNZVBPWOSDXRDV-OAHLLOKOSA-N 1 3 348.365 2.009 20 10 EECDHO [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001205248702 1322330130 /nfs/dbraw/zinc/33/01/30/1322330130.db2.gz RNZVBPWOSDXRDV-OAHLLOKOSA-N 1 3 348.365 2.009 20 10 EECDHO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852282 1334727171 /nfs/dbraw/zinc/72/71/71/1334727171.db2.gz YLJSKHCLALJORW-VQIMIIECSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852282 1334727175 /nfs/dbraw/zinc/72/71/75/1334727175.db2.gz YLJSKHCLALJORW-VQIMIIECSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852282 1334727187 /nfs/dbraw/zinc/72/71/87/1334727187.db2.gz YLJSKHCLALJORW-VQIMIIECSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852282 1334727193 /nfs/dbraw/zinc/72/71/93/1334727193.db2.gz YLJSKHCLALJORW-VQIMIIECSA-N 1 3 348.510 2.350 20 10 EECDHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001000227583 1240083065 /nfs/dbraw/zinc/08/30/65/1240083065.db2.gz OKKUUITZIHRQTD-ROUUACIJSA-N 1 3 347.503 2.424 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001188158517 1279790576 /nfs/dbraw/zinc/79/05/76/1279790576.db2.gz RFAIOFMOIJZYLN-QGZVFWFLSA-N 1 3 333.476 2.034 20 10 EECDHO COCCOc1ccc(N2CC[NH+](C[C@@H]3CCCN(C)C3)CC2)cc1 ZINC001208615547 1324594807 /nfs/dbraw/zinc/59/48/07/1324594807.db2.gz HURXCIHUIOCLBD-GOSISDBHSA-N 1 3 347.503 2.176 20 10 EECDHO C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000817974139 785125263 /nfs/dbraw/zinc/12/52/63/785125263.db2.gz ZHCZDBAANRELSA-QMTHXVAHSA-N 1 3 335.345 2.018 20 10 EECDHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001082748642 797658058 /nfs/dbraw/zinc/65/80/58/797658058.db2.gz UUUAMEYFUNKCBF-NXHRZFHOSA-N 1 3 347.503 2.280 20 10 EECDHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001176992563 798683939 /nfs/dbraw/zinc/68/39/39/798683939.db2.gz UFLNOULJSNGPDI-SFHVURJKSA-N 1 3 347.503 2.474 20 10 EECDHO CN(C)c1ccc(C[NH2+]CC2(O)CCN(C)CC2)c(C(F)(F)F)c1 ZINC000792991814 810098849 /nfs/dbraw/zinc/09/88/49/810098849.db2.gz JXSRINHVNYXENH-UHFFFAOYSA-N 1 3 345.409 2.318 20 10 EECDHO C[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)Cn1ccnc1 ZINC000771818919 577232475 /nfs/dbraw/zinc/23/24/75/577232475.db2.gz NSQOYXIZAFWYHJ-KRWDZBQOSA-N 1 3 327.476 2.061 20 10 EECDHO CN1CCN(c2ccc(C[N@H+](C)C[C@H]3CCCN(C)C3)cc2)CC1 ZINC000775653242 577441879 /nfs/dbraw/zinc/44/18/79/577441879.db2.gz AZNFTHRMNIDMDU-IBGZPJMESA-N 1 3 330.520 2.212 20 10 EECDHO CN1CCN(c2ccc(C[N@@H+](C)C[C@H]3CCCN(C)C3)cc2)CC1 ZINC000775653242 577441880 /nfs/dbraw/zinc/44/18/80/577441880.db2.gz AZNFTHRMNIDMDU-IBGZPJMESA-N 1 3 330.520 2.212 20 10 EECDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000775653242 577441881 /nfs/dbraw/zinc/44/18/81/577441881.db2.gz AZNFTHRMNIDMDU-IBGZPJMESA-N 1 3 330.520 2.212 20 10 EECDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000775653242 577441882 /nfs/dbraw/zinc/44/18/82/577441882.db2.gz AZNFTHRMNIDMDU-IBGZPJMESA-N 1 3 330.520 2.212 20 10 EECDHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC001026733919 684925267 /nfs/dbraw/zinc/92/52/67/684925267.db2.gz JUTRKJHUSWNCGD-MSOLQXFVSA-N 1 3 345.487 2.036 20 10 EECDHO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1C ZINC001034885158 1196831585 /nfs/dbraw/zinc/83/15/85/1196831585.db2.gz PPCCDVIEUFFUDS-MSOLQXFVSA-N 1 3 345.487 2.178 20 10 EECDHO C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Br)cc1[O-] ZINC000825916652 1199785097 /nfs/dbraw/zinc/78/50/97/1199785097.db2.gz RPXQJBQELGBHIM-UHFFFAOYSA-N 1 3 344.297 2.080 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])N(C)C)cc1 ZINC001122328585 1310261153 /nfs/dbraw/zinc/26/11/53/1310261153.db2.gz PWWUZZCFZBXXQV-CMKODMSKSA-N 1 3 346.519 2.379 20 10 EECDHO Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c([O-])c1 ZINC000840829953 1315419059 /nfs/dbraw/zinc/41/90/59/1315419059.db2.gz AADADYAZFQJHKG-KRWDZBQOSA-N 1 3 347.503 2.148 20 10 EECDHO CN1CCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1(C)C ZINC001325156040 1333840418 /nfs/dbraw/zinc/84/04/18/1333840418.db2.gz BTIBIKCMJREKBC-UHFFFAOYSA-N 1 3 330.520 2.402 20 10 EECDHO CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000377629026 467101280 /nfs/dbraw/zinc/10/12/80/467101280.db2.gz PAAJMZCFFQBTGW-GOSISDBHSA-N 1 3 347.503 2.391 20 10 EECDHO CCOc1cccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1O ZINC000377629026 467101283 /nfs/dbraw/zinc/10/12/83/467101283.db2.gz PAAJMZCFFQBTGW-GOSISDBHSA-N 1 3 347.503 2.391 20 10 EECDHO CN1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000775653243 577441887 /nfs/dbraw/zinc/44/18/87/577441887.db2.gz AZNFTHRMNIDMDU-LJQANCHMSA-N 1 3 330.520 2.212 20 10 EECDHO CN1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CCCN(C)C3)cc2)CC1 ZINC000775653243 577441888 /nfs/dbraw/zinc/44/18/88/577441888.db2.gz AZNFTHRMNIDMDU-LJQANCHMSA-N 1 3 330.520 2.212 20 10 EECDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000775653243 577441889 /nfs/dbraw/zinc/44/18/89/577441889.db2.gz AZNFTHRMNIDMDU-LJQANCHMSA-N 1 3 330.520 2.212 20 10 EECDHO CN(Cc1ccc(N2CCN(C)CC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000775653243 577441890 /nfs/dbraw/zinc/44/18/90/577441890.db2.gz AZNFTHRMNIDMDU-LJQANCHMSA-N 1 3 330.520 2.212 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1C ZINC000987531823 689809169 /nfs/dbraw/zinc/80/91/69/689809169.db2.gz OKJMHRIJIPLOKI-AEFFLSMTSA-N 1 3 345.487 2.178 20 10 EECDHO CCC[N@@H+]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001118422996 1306369128 /nfs/dbraw/zinc/36/91/28/1306369128.db2.gz AGAFASKIVJDURM-QGZVFWFLSA-N 1 3 334.483 2.151 20 10 EECDHO CCC[N@H+]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001118422996 1306369135 /nfs/dbraw/zinc/36/91/35/1306369135.db2.gz AGAFASKIVJDURM-QGZVFWFLSA-N 1 3 334.483 2.151 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H](CO)CC[C@@H]3C)cc2)CC1 ZINC001140302145 1314860539 /nfs/dbraw/zinc/86/05/39/1314860539.db2.gz LGUDQGOEQKSDFQ-HKUYNNGSSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H](CO)CC[C@@H]3C)cc2)CC1 ZINC001140302145 1314860541 /nfs/dbraw/zinc/86/05/41/1314860541.db2.gz LGUDQGOEQKSDFQ-HKUYNNGSSA-N 1 3 331.504 2.421 20 10 EECDHO CCC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCN(C)C1 ZINC000843421377 1315911851 /nfs/dbraw/zinc/91/18/51/1315911851.db2.gz CRMBMNLTKMHRDC-FQEVSTJZSA-N 1 3 330.520 2.355 20 10 EECDHO CCC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CCN(C)C1 ZINC000843421377 1315911852 /nfs/dbraw/zinc/91/18/52/1315911852.db2.gz CRMBMNLTKMHRDC-FQEVSTJZSA-N 1 3 330.520 2.355 20 10 EECDHO CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428437 1334647921 /nfs/dbraw/zinc/64/79/21/1334647921.db2.gz RDYAAYKDENZYCT-JENIJYKNSA-N 1 3 346.494 2.137 20 10 EECDHO CCN(CC)c1ccc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1 ZINC000818431931 785253090 /nfs/dbraw/zinc/25/30/90/785253090.db2.gz WTNBIEIQMNRHBI-RBUKOAKNSA-N 1 3 327.476 2.193 20 10 EECDHO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](N)C2)cc1 ZINC000818431931 785253094 /nfs/dbraw/zinc/25/30/94/785253094.db2.gz WTNBIEIQMNRHBI-RBUKOAKNSA-N 1 3 327.476 2.193 20 10 EECDHO [O-]c1cc(Br)c(O)cc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320614 1305560619 /nfs/dbraw/zinc/56/06/19/1305560619.db2.gz JXCVHAFEMBLDFT-PHIMTYICSA-N 1 3 341.249 2.292 20 10 EECDHO [O-]c1cc(Br)c(O)cc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236320614 1305560626 /nfs/dbraw/zinc/56/06/26/1305560626.db2.gz JXCVHAFEMBLDFT-PHIMTYICSA-N 1 3 341.249 2.292 20 10 EECDHO Cc1ccc(C)n1-c1ccc(-c2noc(C34CNCC3C[NH2+]C4)n2)cc1 ZINC001247850173 1310747095 /nfs/dbraw/zinc/74/70/95/1310747095.db2.gz IIERPKGIRFQSMZ-UHFFFAOYSA-N 1 3 349.438 2.205 20 10 EECDHO CN1CCN(c2ccc(CN3CCC[C@H]([NH+](C)C)CC3)cc2)CC1 ZINC000763613968 577723385 /nfs/dbraw/zinc/72/33/85/577723385.db2.gz KWQINJRNBARHKJ-IBGZPJMESA-N 1 3 330.520 2.355 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1C ZINC000987531824 689809362 /nfs/dbraw/zinc/80/93/62/689809362.db2.gz OKJMHRIJIPLOKI-FUHWJXTLSA-N 1 3 345.487 2.178 20 10 EECDHO CCOC(=O)[C@@]12C[N@H+](Cc3cc(C)ccc3O)C[C@@H]1CNCCC2 ZINC001222130650 1299375448 /nfs/dbraw/zinc/37/54/48/1299375448.db2.gz IFAKOWZDVXFASC-LPHOPBHVSA-N 1 3 332.444 2.065 20 10 EECDHO CCOC(=O)[C@@]12C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]1CNCCC2 ZINC001222130650 1299375462 /nfs/dbraw/zinc/37/54/62/1299375462.db2.gz IFAKOWZDVXFASC-LPHOPBHVSA-N 1 3 332.444 2.065 20 10 EECDHO COc1cc(Cl)cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1[O-] ZINC000843125399 1315849538 /nfs/dbraw/zinc/84/95/38/1315849538.db2.gz VLKVTRPCRQJTDI-PBHICJAKSA-N 1 3 340.851 2.382 20 10 EECDHO CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001254083356 1317998370 /nfs/dbraw/zinc/99/83/70/1317998370.db2.gz VYMORSZOJJOLMD-WOJBJXKFSA-N 1 3 330.520 2.401 20 10 EECDHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210811136 1325445314 /nfs/dbraw/zinc/44/53/14/1325445314.db2.gz JTGVUTPVFAQITO-SFHVURJKSA-N 1 3 347.503 2.426 20 10 EECDHO C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC001325321794 1333863452 /nfs/dbraw/zinc/86/34/52/1333863452.db2.gz ZSHNLKQWJBIVLT-RDJZCZTQSA-N 1 3 334.483 2.055 20 10 EECDHO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001755236119 1407244818 /nfs/dbraw/zinc/24/48/18/1407244818.db2.gz DNYUCVQXIQPBCC-JKSUJKDBSA-N 1 3 347.503 2.471 20 10 EECDHO CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[O-] ZINC000817973252 785124381 /nfs/dbraw/zinc/12/43/81/785124381.db2.gz RTDKTKGVOXMWID-UKRRQHHQSA-N 1 3 331.382 2.269 20 10 EECDHO OC1CCN(c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000850567899 1277268365 /nfs/dbraw/zinc/26/83/65/1277268365.db2.gz LPKXTZRSBGHMIA-UHFFFAOYSA-N 1 3 329.488 2.364 20 10 EECDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850565835 1277268432 /nfs/dbraw/zinc/26/84/32/1277268432.db2.gz IDYUBUSBAKBMQG-OXQOHEQNSA-N 1 3 331.504 2.468 20 10 EECDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850565835 1277268444 /nfs/dbraw/zinc/26/84/44/1277268444.db2.gz IDYUBUSBAKBMQG-OXQOHEQNSA-N 1 3 331.504 2.468 20 10 EECDHO COc1cc(CN2CCCC[C@](O)(CF)C2)cc(C[NH+](C)C)c1O ZINC001139253484 1314721379 /nfs/dbraw/zinc/72/13/79/1314721379.db2.gz VSGCVAWWIXBAEU-SFHVURJKSA-N 1 3 340.439 2.149 20 10 EECDHO COc1cc(CN2CC[C@H](c3nc(C)no3)C2)cc(C[NH+](C)C)c1O ZINC001139258936 1314722919 /nfs/dbraw/zinc/72/29/19/1314722919.db2.gz BKCQZRILJLPDCK-AWEZNQCLSA-N 1 3 346.431 2.143 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@H]4C3)cc2)CC1 ZINC001140306764 1314863494 /nfs/dbraw/zinc/86/34/94/1314863494.db2.gz XAKRHGVGOAAGKM-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]4C3)cc2)CC1 ZINC001140306764 1314863499 /nfs/dbraw/zinc/86/34/99/1314863499.db2.gz XAKRHGVGOAAGKM-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO COc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@H]2C)cc1C ZINC001166627450 1321753889 /nfs/dbraw/zinc/75/38/89/1321753889.db2.gz VXFRLODGIWFWLP-MRXNPFEDSA-N 1 3 333.476 2.084 20 10 EECDHO CN1CCN(c2ccc(CNC[C@@]3(C)CCC[NH2+]C3)cc2F)CC1 ZINC001261370488 1322082728 /nfs/dbraw/zinc/08/27/28/1322082728.db2.gz LBMBTMSQZJZXCT-IBGZPJMESA-N 1 3 334.483 2.057 20 10 EECDHO COc1ccc(C[NH2+]C2CCN(C(=O)CN3CCCC3)CC2)cc1C ZINC000997303863 789612969 /nfs/dbraw/zinc/61/29/69/789612969.db2.gz WFXFRDVPKHPVMF-UHFFFAOYSA-N 1 3 345.487 2.180 20 10 EECDHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846144340 790073832 /nfs/dbraw/zinc/07/38/32/790073832.db2.gz IVGZHQLPVLFMBX-HOTGVXAUSA-N 1 3 335.492 2.325 20 10 EECDHO O[C@@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921861592 797698930 /nfs/dbraw/zinc/69/89/30/797698930.db2.gz XQFXLWKSAOMPRT-RTBURBONSA-N 1 3 330.472 2.479 20 10 EECDHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834870 467149080 /nfs/dbraw/zinc/14/90/80/467149080.db2.gz OVOUKNVQWIOEQG-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834870 467149081 /nfs/dbraw/zinc/14/90/81/467149081.db2.gz OVOUKNVQWIOEQG-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834870 467149082 /nfs/dbraw/zinc/14/90/82/467149082.db2.gz OVOUKNVQWIOEQG-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834870 467149085 /nfs/dbraw/zinc/14/90/85/467149085.db2.gz OVOUKNVQWIOEQG-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO CC[NH+](CC)[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775648018 577441766 /nfs/dbraw/zinc/44/17/66/577441766.db2.gz MOUDSFICPGZKGL-FQEVSTJZSA-N 1 3 330.520 2.355 20 10 EECDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876989105 1199837443 /nfs/dbraw/zinc/83/74/43/1199837443.db2.gz UYCJIBRTMWIHJQ-GOSISDBHSA-N 1 3 331.504 2.469 20 10 EECDHO CN(C)C(=O)CN1CCCC2(CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001275267006 1205294304 /nfs/dbraw/zinc/29/43/04/1205294304.db2.gz IBLRPYDQJRCZIE-UHFFFAOYSA-N 1 3 345.487 2.158 20 10 EECDHO C[NH2+]CCOCC[N@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000863647340 1296363779 /nfs/dbraw/zinc/36/37/79/1296363779.db2.gz IPVLBPYWOKZVCL-UHFFFAOYSA-N 1 3 331.254 2.131 20 10 EECDHO C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)cc(C)c1[O-] ZINC000863647340 1296363789 /nfs/dbraw/zinc/36/37/89/1296363789.db2.gz IPVLBPYWOKZVCL-UHFFFAOYSA-N 1 3 331.254 2.131 20 10 EECDHO Cc1ccc(C)n1-c1ccc(-c2noc([C@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247830861 1310736106 /nfs/dbraw/zinc/73/61/06/1310736106.db2.gz PULKYHGFQXCLBR-QGZVFWFLSA-N 1 3 349.438 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[NH+]3CCC4(CC3)OCCO4)cc2)CC1 ZINC001140302321 1314860687 /nfs/dbraw/zinc/86/06/87/1314860687.db2.gz NTLOAZGZVMVQGN-UHFFFAOYSA-N 1 3 345.487 2.167 20 10 EECDHO COc1cc(CN2CCC(C[NH3+])CC2)c(O)cc1Br ZINC001205052799 1322272689 /nfs/dbraw/zinc/27/26/89/1322272689.db2.gz FGALUIXOCSGZAE-UHFFFAOYSA-N 1 3 329.238 2.334 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC001336624823 1336572338 /nfs/dbraw/zinc/57/23/38/1336572338.db2.gz QHIAQQKEBNMNEW-GOSISDBHSA-N 1 3 344.503 2.100 20 10 EECDHO [NH3+]C[C@@H]1CCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935375 785079390 /nfs/dbraw/zinc/07/93/90/785079390.db2.gz NNZZDTRMYWQHOZ-XJKSGUPXSA-N 1 3 325.403 2.018 20 10 EECDHO COc1cccc(CNCc2ccncc2OCCC[NH+](C)C)c1O ZINC000288559738 464050377 /nfs/dbraw/zinc/05/03/77/464050377.db2.gz MEUIYJCGKDTZHK-UHFFFAOYSA-N 1 3 345.443 2.416 20 10 EECDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243760 676235162 /nfs/dbraw/zinc/23/51/62/676235162.db2.gz UVSMYBYHYAWZPB-RTBURBONSA-N 1 3 346.519 2.344 20 10 EECDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243760 676235163 /nfs/dbraw/zinc/23/51/63/676235163.db2.gz UVSMYBYHYAWZPB-RTBURBONSA-N 1 3 346.519 2.344 20 10 EECDHO COc1ccc(O)c(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702560783 1196014911 /nfs/dbraw/zinc/01/49/11/1196014911.db2.gz FCYWXMZSAZZTCF-FQEVSTJZSA-N 1 3 342.439 2.127 20 10 EECDHO COc1ccc(O)c(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702560783 1196014913 /nfs/dbraw/zinc/01/49/13/1196014913.db2.gz FCYWXMZSAZZTCF-FQEVSTJZSA-N 1 3 342.439 2.127 20 10 EECDHO CCN(CC[NH+]1CCCC1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC001139409462 1314740981 /nfs/dbraw/zinc/74/09/81/1314740981.db2.gz LKUXSECMGWRWIF-UHFFFAOYSA-N 1 3 330.520 2.356 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](C)[C@@H](O)CC3)cc2)CC1 ZINC001140301965 1314860220 /nfs/dbraw/zinc/86/02/20/1314860220.db2.gz FZEYXCBFLOOYNX-PXNSSMCTSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](C)[C@@H](O)CC3)cc2)CC1 ZINC001140301965 1314860228 /nfs/dbraw/zinc/86/02/28/1314860228.db2.gz FZEYXCBFLOOYNX-PXNSSMCTSA-N 1 3 331.504 2.421 20 10 EECDHO [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001205248701 1322329859 /nfs/dbraw/zinc/32/98/59/1322329859.db2.gz RNZVBPWOSDXRDV-HNNXBMFYSA-N 1 3 348.365 2.009 20 10 EECDHO [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001205248701 1322329863 /nfs/dbraw/zinc/32/98/63/1322329863.db2.gz RNZVBPWOSDXRDV-HNNXBMFYSA-N 1 3 348.365 2.009 20 10 EECDHO CC(C)[NH2+]CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335535902 1336391565 /nfs/dbraw/zinc/39/15/65/1336391565.db2.gz BQVSYOCKWUTBTO-SFHVURJKSA-N 1 3 349.523 2.043 20 10 EECDHO CN(C)C(=O)CC[NH+]1CCC(NCc2ccc3c(c2)CCCO3)CC1 ZINC000921716150 795597158 /nfs/dbraw/zinc/59/71/58/795597158.db2.gz KVEKTZTYYDWSHF-UHFFFAOYSA-N 1 3 345.487 2.044 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)CCC2CC[NH2+]CC2)N(C)C)cc1 ZINC001523580991 1119813710 /nfs/dbraw/zinc/81/37/10/1119813710.db2.gz NDQLKSFVOOHQEO-IBGZPJMESA-N 1 3 346.519 2.251 20 10 EECDHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435252 464583003 /nfs/dbraw/zinc/58/30/03/464583003.db2.gz NCUNLNFCWDHHLC-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435252 464583010 /nfs/dbraw/zinc/58/30/10/464583010.db2.gz NCUNLNFCWDHHLC-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435252 464583015 /nfs/dbraw/zinc/58/30/15/464583015.db2.gz NCUNLNFCWDHHLC-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435252 464583020 /nfs/dbraw/zinc/58/30/20/464583020.db2.gz NCUNLNFCWDHHLC-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO [NH3+]CC1(O)CC[NH+](Cc2ccc(OCc3ccccc3)cc2[O-])CC1 ZINC000841108098 1315477725 /nfs/dbraw/zinc/47/77/25/1315477725.db2.gz NRKIKSXHYNAQRQ-UHFFFAOYSA-N 1 3 342.439 2.257 20 10 EECDHO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326230791 1334048352 /nfs/dbraw/zinc/04/83/52/1334048352.db2.gz FVPNABQDCOIQBI-SFHVURJKSA-N 1 3 336.499 2.383 20 10 EECDHO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]C4(CCC4)C3)cc2F)CC1 ZINC001331417554 1335010679 /nfs/dbraw/zinc/01/06/79/1335010679.db2.gz CEJADYKMXWWONQ-QGZVFWFLSA-N 1 3 346.494 2.342 20 10 EECDHO COc1cc(C[NH2+]CC2(O)CCN(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000850154235 1367129214 /nfs/dbraw/zinc/12/92/14/1367129214.db2.gz NPDQCZNBSHOHQM-UHFFFAOYSA-N 1 3 336.476 2.245 20 10 EECDHO CCN(CC)c1ccc(CN2CCN(CCC[NH+](C)C)CC2)c(O)c1 ZINC001140856309 1372698736 /nfs/dbraw/zinc/69/87/36/1372698736.db2.gz XAWIMUDVMRGEPD-UHFFFAOYSA-N 1 3 348.535 2.308 20 10 EECDHO CN(C)c1ccc(C[NH+]2CCC(CN3CCN(C)CC3)CC2)cc1 ZINC000289447258 464079495 /nfs/dbraw/zinc/07/94/95/464079495.db2.gz MURLTOYVULQLHD-UHFFFAOYSA-N 1 3 330.520 2.212 20 10 EECDHO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775736648 577444287 /nfs/dbraw/zinc/44/42/87/577444287.db2.gz WAKBFJXADVRMBE-RTWAWAEBSA-N 1 3 342.531 2.497 20 10 EECDHO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775736648 577444288 /nfs/dbraw/zinc/44/42/88/577444288.db2.gz WAKBFJXADVRMBE-RTWAWAEBSA-N 1 3 342.531 2.497 20 10 EECDHO COc1cc(C)cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1O ZINC000894766636 683081463 /nfs/dbraw/zinc/08/14/63/683081463.db2.gz QWTJHFSYZJNMQM-UHFFFAOYSA-N 1 3 335.492 2.167 20 10 EECDHO COc1cc(C)cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1O ZINC000894766636 683081465 /nfs/dbraw/zinc/08/14/65/683081465.db2.gz QWTJHFSYZJNMQM-UHFFFAOYSA-N 1 3 335.492 2.167 20 10 EECDHO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1C ZINC001034885160 1196831044 /nfs/dbraw/zinc/83/10/44/1196831044.db2.gz PPCCDVIEUFFUDS-QZTJIDSGSA-N 1 3 345.487 2.178 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC4(CN(C)C4)C3)cc2)CC1 ZINC001275194451 1205278653 /nfs/dbraw/zinc/27/86/53/1205278653.db2.gz QWFALJUGVCXJIX-UHFFFAOYSA-N 1 3 342.531 2.356 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCCC4(CN(C)C4)C3)cc2)CC1 ZINC001275194451 1205278654 /nfs/dbraw/zinc/27/86/54/1205278654.db2.gz QWFALJUGVCXJIX-UHFFFAOYSA-N 1 3 342.531 2.356 20 10 EECDHO CCN1CCN(c2ccc(OC3CC[NH+](CCOC)CC3)cc2)CC1 ZINC001234657754 1305002526 /nfs/dbraw/zinc/00/25/26/1305002526.db2.gz HLYVMXQXVCALNG-UHFFFAOYSA-N 1 3 347.503 2.318 20 10 EECDHO COC(=O)Cc1ccc(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235237966 1305160351 /nfs/dbraw/zinc/16/03/51/1305160351.db2.gz OCDFAFHWJJZJSF-GOSISDBHSA-N 1 3 346.471 2.462 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])N(C)C)cc1 ZINC001122328587 1310261425 /nfs/dbraw/zinc/26/14/25/1310261425.db2.gz PWWUZZCFZBXXQV-WSTZPKSXSA-N 1 3 346.519 2.379 20 10 EECDHO COc1cc(CN2CC(N3CCCCC3)C2)cc(C[NH+](C)C)c1O ZINC001139258011 1314722702 /nfs/dbraw/zinc/72/27/02/1314722702.db2.gz JJQQBXQIQHQZER-UHFFFAOYSA-N 1 3 333.476 2.133 20 10 EECDHO [NH3+][C@H](CC(=O)N1CCC(C2CC[NH2+]CC2)CC1)c1ccccc1[O-] ZINC001161208885 1315003259 /nfs/dbraw/zinc/00/32/59/1315003259.db2.gz YWBPXSOBPFLXIH-QGZVFWFLSA-N 1 3 331.460 2.020 20 10 EECDHO CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC001578413448 1403749874 /nfs/dbraw/zinc/74/98/74/1403749874.db2.gz OLTILORXDAWMME-QGZVFWFLSA-N 1 3 335.451 2.465 20 10 EECDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817888816 785024314 /nfs/dbraw/zinc/02/43/14/785024314.db2.gz PBXKMEFHSTYOTN-JCGIZDLHSA-N 1 3 335.517 2.082 20 10 EECDHO CC[NH+](CC)CCCN1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232840225 1304266678 /nfs/dbraw/zinc/26/66/78/1304266678.db2.gz PXPJJTLSBMHCEA-UHFFFAOYSA-N 1 3 348.535 2.308 20 10 EECDHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001152457724 1316674523 /nfs/dbraw/zinc/67/45/23/1316674523.db2.gz HNDLSOGMJGGNSB-QGZVFWFLSA-N 1 3 333.476 2.084 20 10 EECDHO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001161135114 1320398035 /nfs/dbraw/zinc/39/80/35/1320398035.db2.gz SJILSUJGAJUTQF-SFHVURJKSA-N 1 3 334.508 2.160 20 10 EECDHO COc1ccc(C[NH2+]C2CCN(C(=O)CN(C)C(C)C)CC2)cc1C ZINC001203924885 1321990767 /nfs/dbraw/zinc/99/07/67/1321990767.db2.gz GSQLAJZRYOMTAQ-UHFFFAOYSA-N 1 3 347.503 2.424 20 10 EECDHO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347372699 1337506391 /nfs/dbraw/zinc/50/63/91/1337506391.db2.gz LNKGDDKHFGPRRY-INIZCTEOSA-N 1 3 336.499 2.396 20 10 EECDHO CC(C)[N@H+](C)C[C@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347372699 1337506394 /nfs/dbraw/zinc/50/63/94/1337506394.db2.gz LNKGDDKHFGPRRY-INIZCTEOSA-N 1 3 336.499 2.396 20 10 EECDHO CC(C)N(C)C[C@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347372699 1337506396 /nfs/dbraw/zinc/50/63/96/1337506396.db2.gz LNKGDDKHFGPRRY-INIZCTEOSA-N 1 3 336.499 2.396 20 10 EECDHO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000771844287 577233880 /nfs/dbraw/zinc/23/38/80/577233880.db2.gz YBUVGTFIKRAGBG-YLJYHZDGSA-N 1 3 330.520 2.258 20 10 EECDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000771844287 577233881 /nfs/dbraw/zinc/23/38/81/577233881.db2.gz YBUVGTFIKRAGBG-YLJYHZDGSA-N 1 3 330.520 2.258 20 10 EECDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000771844287 577233883 /nfs/dbraw/zinc/23/38/83/577233883.db2.gz YBUVGTFIKRAGBG-YLJYHZDGSA-N 1 3 330.520 2.258 20 10 EECDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243759 676235319 /nfs/dbraw/zinc/23/53/19/676235319.db2.gz UVSMYBYHYAWZPB-RBUKOAKNSA-N 1 3 346.519 2.344 20 10 EECDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243759 676235321 /nfs/dbraw/zinc/23/53/21/676235321.db2.gz UVSMYBYHYAWZPB-RBUKOAKNSA-N 1 3 346.519 2.344 20 10 EECDHO C[NH+](C)CCN1CC2(C1)C[NH+](Cc1ccc3ccccc3c1[O-])C2 ZINC001276374060 1229459644 /nfs/dbraw/zinc/45/96/44/1229459644.db2.gz PXCJLWANZSLNHA-UHFFFAOYSA-N 1 3 325.456 2.225 20 10 EECDHO CN(C)c1cc(F)c(CN(C)CCC[NH+]2CCN(C)CC2)cc1F ZINC000858196719 1294041893 /nfs/dbraw/zinc/04/18/93/1294041893.db2.gz XSZIXDJRMYPSIJ-UHFFFAOYSA-N 1 3 340.462 2.100 20 10 EECDHO CCN1CCN(c2ccc(CN3CC([NH+]4CCCC4)C3)cc2)CC1 ZINC001140304398 1314861869 /nfs/dbraw/zinc/86/18/69/1314861869.db2.gz NKYKARQGZNUXEJ-UHFFFAOYSA-N 1 3 328.504 2.109 20 10 EECDHO COc1ccc(C[NH2+]CCCNC(=O)CN(C)C2CCC2)cc1C ZINC001160003495 1320046348 /nfs/dbraw/zinc/04/63/48/1320046348.db2.gz QXZCCWGHENDFRN-UHFFFAOYSA-N 1 3 333.476 2.084 20 10 EECDHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210216874 1325202855 /nfs/dbraw/zinc/20/28/55/1325202855.db2.gz AULFRYMISHFQQZ-GOSISDBHSA-N 1 3 347.503 2.426 20 10 EECDHO CC(C)[NH2+]CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335535901 1336391509 /nfs/dbraw/zinc/39/15/09/1336391509.db2.gz BQVSYOCKWUTBTO-GOSISDBHSA-N 1 3 349.523 2.043 20 10 EECDHO C[C@H]1C[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000151559937 463552735 /nfs/dbraw/zinc/55/27/35/463552735.db2.gz IPZVKBQDRSBWTK-QFBILLFUSA-N 1 3 331.504 2.468 20 10 EECDHO C[C@H]1C[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000151559937 463552741 /nfs/dbraw/zinc/55/27/41/463552741.db2.gz IPZVKBQDRSBWTK-QFBILLFUSA-N 1 3 331.504 2.468 20 10 EECDHO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c([O-])c1 ZINC001237040645 1305775212 /nfs/dbraw/zinc/77/52/12/1305775212.db2.gz KEVNASZSIMPSQN-ZWKOTPCHSA-N 1 3 333.476 2.001 20 10 EECDHO CCOc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c([O-])c1 ZINC001237040645 1305775222 /nfs/dbraw/zinc/77/52/22/1305775222.db2.gz KEVNASZSIMPSQN-ZWKOTPCHSA-N 1 3 333.476 2.001 20 10 EECDHO COc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1O ZINC000363889557 466647014 /nfs/dbraw/zinc/64/70/14/466647014.db2.gz PIBFTRZQZGQBIA-UHFFFAOYSA-N 1 3 347.503 2.250 20 10 EECDHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000771844281 577233911 /nfs/dbraw/zinc/23/39/11/577233911.db2.gz YBUVGTFIKRAGBG-PXNSSMCTSA-N 1 3 330.520 2.258 20 10 EECDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000771844281 577233913 /nfs/dbraw/zinc/23/39/13/577233913.db2.gz YBUVGTFIKRAGBG-PXNSSMCTSA-N 1 3 330.520 2.258 20 10 EECDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000771844281 577233915 /nfs/dbraw/zinc/23/39/15/577233915.db2.gz YBUVGTFIKRAGBG-PXNSSMCTSA-N 1 3 330.520 2.258 20 10 EECDHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC001026733921 684925318 /nfs/dbraw/zinc/92/53/18/684925318.db2.gz JUTRKJHUSWNCGD-ROUUACIJSA-N 1 3 345.487 2.036 20 10 EECDHO c1cc(N2CC[NH2+]CC2)ccc1C1=CC[C@H](N2CCOCC2)CC1 ZINC001245421996 1310097464 /nfs/dbraw/zinc/09/74/64/1310097464.db2.gz AYWGKAKRTKPOGV-FQEVSTJZSA-N 1 3 327.472 2.364 20 10 EECDHO CCN1CCN(c2ccc(CN3CCC([NH+](C)C)CC3)cc2)CC1 ZINC001140300939 1314859076 /nfs/dbraw/zinc/85/90/76/1314859076.db2.gz WKUUARWRUUCPSH-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161226305 1320426110 /nfs/dbraw/zinc/42/61/10/1320426110.db2.gz BWOYCMXJPWQVKD-UHFFFAOYSA-N 1 3 335.492 2.330 20 10 EECDHO CCCC[N@H+](C)CCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308258772 1331579745 /nfs/dbraw/zinc/57/97/45/1331579745.db2.gz PMUYKFQLGQNSJS-UHFFFAOYSA-N 1 3 336.499 2.399 20 10 EECDHO CCCC[N@@H+](C)CCNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001308258772 1331579752 /nfs/dbraw/zinc/57/97/52/1331579752.db2.gz PMUYKFQLGQNSJS-UHFFFAOYSA-N 1 3 336.499 2.399 20 10 EECDHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC000969985631 675365158 /nfs/dbraw/zinc/36/51/58/675365158.db2.gz KDFDTFODQMYDBT-SJORKVTESA-N 1 3 333.476 2.034 20 10 EECDHO CN1CCN(c2ccc(C[NH2+][C@@H]3Cc4ccccc4[C@H]3N)cc2)CC1 ZINC000904462829 694395176 /nfs/dbraw/zinc/39/51/76/694395176.db2.gz YUJWTNCXQDEYKK-NHCUHLMSSA-N 1 3 336.483 2.153 20 10 EECDHO CN(C)CC[NH2+][C@@]12CC[C@@](NCc3ccc(O)c(O)c3)(C1)CCC2 ZINC001275821682 1205550957 /nfs/dbraw/zinc/55/09/57/1205550957.db2.gz XNDUNCVPGOCFPG-RBUKOAKNSA-N 1 3 333.476 2.184 20 10 EECDHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001045204968 1233578486 /nfs/dbraw/zinc/57/84/86/1233578486.db2.gz AHTZQKNNUPTRTK-ROUUACIJSA-N 1 3 347.503 2.424 20 10 EECDHO CCOc1ccc(C[NH+]2CCC3(CN(CC[NH+](C)C)C3)CC2)c([O-])c1 ZINC001276815222 1298492564 /nfs/dbraw/zinc/49/25/64/1298492564.db2.gz QCTLLMWJRHLGNJ-UHFFFAOYSA-N 1 3 347.503 2.250 20 10 EECDHO CCN1CCN(c2ccc(CN(C(C)C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC001236530033 1305591516 /nfs/dbraw/zinc/59/15/16/1305591516.db2.gz OIPGDEFLFWXIIC-FQEVSTJZSA-N 1 3 330.520 2.401 20 10 EECDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000841099991 1315474790 /nfs/dbraw/zinc/47/47/90/1315474790.db2.gz RFHNTRVQKQEPKS-IBGZPJMESA-N 1 3 342.491 2.420 20 10 EECDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](n3cc(CN)nn3)C2)cc1 ZINC000841099991 1315474794 /nfs/dbraw/zinc/47/47/94/1315474794.db2.gz RFHNTRVQKQEPKS-IBGZPJMESA-N 1 3 342.491 2.420 20 10 EECDHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243754 676235267 /nfs/dbraw/zinc/23/52/67/676235267.db2.gz UVSMYBYHYAWZPB-MOPGFXCFSA-N 1 3 346.519 2.344 20 10 EECDHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243754 676235269 /nfs/dbraw/zinc/23/52/69/676235269.db2.gz UVSMYBYHYAWZPB-MOPGFXCFSA-N 1 3 346.519 2.344 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)CC[NH2+]C(C)(C)C)N(C)C)cc1 ZINC000891257137 676252626 /nfs/dbraw/zinc/25/26/26/676252626.db2.gz DCXXOPBRABCKIS-QGZVFWFLSA-N 1 3 334.508 2.250 20 10 EECDHO CN1CC[NH+](C2CCN(Cc3ccc(N4CCCC4)cc3)CC2)CC1 ZINC001204327569 1322113205 /nfs/dbraw/zinc/11/32/05/1322113205.db2.gz ZCFIJSMWCXJUBI-UHFFFAOYSA-N 1 3 342.531 2.499 20 10 EECDHO C[C@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336924002 1336617696 /nfs/dbraw/zinc/61/76/96/1336617696.db2.gz RTRQVHVRDJKIKE-QAPCUYQASA-N 1 3 349.523 2.172 20 10 EECDHO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN(C)C(C)C)cc1C ZINC001754622440 1406936209 /nfs/dbraw/zinc/93/62/09/1406936209.db2.gz QXWUCOORPVZTJO-SFHVURJKSA-N 1 3 347.503 2.424 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])N(C)C)cc1 ZINC001578424463 1403753614 /nfs/dbraw/zinc/75/36/14/1403753614.db2.gz HQYTWWPEDHIRLU-OTWHNJEPSA-N 1 3 346.519 2.379 20 10 EECDHO CN1CCN(c2ccc(CN3CCC[C@@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000775664354 577442210 /nfs/dbraw/zinc/44/22/10/577442210.db2.gz LTDNSIMEEPULRI-OAQYLSRUSA-N 1 3 342.531 2.499 20 10 EECDHO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCCC3)cc2)CC1 ZINC000775664354 577442211 /nfs/dbraw/zinc/44/22/11/577442211.db2.gz LTDNSIMEEPULRI-OAQYLSRUSA-N 1 3 342.531 2.499 20 10 EECDHO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CN3CCCC3)cc2)CC1 ZINC000775664354 577442212 /nfs/dbraw/zinc/44/22/12/577442212.db2.gz LTDNSIMEEPULRI-OAQYLSRUSA-N 1 3 342.531 2.499 20 10 EECDHO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001236130787 1305508115 /nfs/dbraw/zinc/50/81/15/1305508115.db2.gz HSDXWBLPHDILQR-HXUWFJFHSA-N 1 3 330.520 2.402 20 10 EECDHO CN1CCN(c2ccc(CN3CCC[C@](C)([NH3+])CC3)c(F)c2)CC1 ZINC001205289066 1322343418 /nfs/dbraw/zinc/34/34/18/1322343418.db2.gz SFAGDIDZTNQVAI-IBGZPJMESA-N 1 3 334.483 2.281 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CC23CCCC3)N(C)C)cc1 ZINC001263260292 1322448738 /nfs/dbraw/zinc/44/87/38/1322448738.db2.gz WXEDMZUNKIADNP-MSOLQXFVSA-N 1 3 344.503 2.004 20 10 EECDHO COC1CCN(c2ccc(CN3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)CC1 ZINC001578940461 1344322060 /nfs/dbraw/zinc/32/20/60/1344322060.db2.gz GINDLGKRNXSYFP-MSOLQXFVSA-N 1 3 329.488 2.343 20 10 EECDHO CCN1CCN(c2ccc(CN[C@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000848718838 1373170592 /nfs/dbraw/zinc/17/05/92/1373170592.db2.gz RBEOOYNPSZIWMB-IRXDYDNUSA-N 1 3 334.483 2.327 20 10 EECDHO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809723920 783336164 /nfs/dbraw/zinc/33/61/64/783336164.db2.gz BEZRQCGDLDLHDW-WIYYLYMNSA-N 1 3 342.531 2.497 20 10 EECDHO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809765129 783370728 /nfs/dbraw/zinc/37/07/28/783370728.db2.gz LJXZUUGRXCLWBL-FXAWDEMLSA-N 1 3 330.520 2.210 20 10 EECDHO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809765129 783370737 /nfs/dbraw/zinc/37/07/37/783370737.db2.gz LJXZUUGRXCLWBL-FXAWDEMLSA-N 1 3 330.520 2.210 20 10 EECDHO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000825336977 788577371 /nfs/dbraw/zinc/57/73/71/788577371.db2.gz BMJNVTXCOZWLMH-HXUWFJFHSA-N 1 3 330.520 2.353 20 10 EECDHO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000825336977 788577381 /nfs/dbraw/zinc/57/73/81/788577381.db2.gz BMJNVTXCOZWLMH-HXUWFJFHSA-N 1 3 330.520 2.353 20 10 EECDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850565833 1277268880 /nfs/dbraw/zinc/26/88/80/1277268880.db2.gz IDYUBUSBAKBMQG-JXFKEZNVSA-N 1 3 331.504 2.468 20 10 EECDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850565833 1277268887 /nfs/dbraw/zinc/26/88/87/1277268887.db2.gz IDYUBUSBAKBMQG-JXFKEZNVSA-N 1 3 331.504 2.468 20 10 EECDHO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H](N)CCCC[NH3+])cc1 ZINC001218954584 1297880446 /nfs/dbraw/zinc/88/04/46/1297880446.db2.gz BJEVXPQOLZRRQW-SFHVURJKSA-N 1 3 326.444 2.258 20 10 EECDHO CN(C)Cc1cccc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832282491 1314669780 /nfs/dbraw/zinc/66/97/80/1314669780.db2.gz ZUNUZBOKMLSUJN-IBGZPJMESA-N 1 3 340.471 2.244 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H](C)[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001140309283 1314865285 /nfs/dbraw/zinc/86/52/85/1314865285.db2.gz ABVJCZNMRJHEDF-LPHOPBHVSA-N 1 3 345.487 2.069 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H](C)[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001140309283 1314865291 /nfs/dbraw/zinc/86/52/91/1314865291.db2.gz ABVJCZNMRJHEDF-LPHOPBHVSA-N 1 3 345.487 2.069 20 10 EECDHO CCN1CCCC[C@@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308264677 1331580216 /nfs/dbraw/zinc/58/02/16/1331580216.db2.gz QYBMQGFXLUQKSO-HXUWFJFHSA-N 1 3 330.520 2.402 20 10 EECDHO CN1CCN(c2ccc(CNCc3ccc(C[NH3+])cc3)cc2F)CC1 ZINC001327004249 1334200972 /nfs/dbraw/zinc/20/09/72/1334200972.db2.gz JDXLMKAKVQYOQR-UHFFFAOYSA-N 1 3 342.462 2.326 20 10 EECDHO CCN1C[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2C1 ZINC001140288833 1372557680 /nfs/dbraw/zinc/55/76/80/1372557680.db2.gz VRWQGBIZKYXPSF-QZTJIDSGSA-N 1 3 329.488 2.031 20 10 EECDHO COc1ccc(N2CCN(CCN[C@@H]3CCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000817892794 785048498 /nfs/dbraw/zinc/04/84/98/785048498.db2.gz CLAWXIOCVBDGFN-VQTJNVASSA-N 1 3 346.519 2.067 20 10 EECDHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000173362424 791847341 /nfs/dbraw/zinc/84/73/41/791847341.db2.gz HKSWJDFYYLLZMY-QAPCUYQASA-N 1 3 335.467 2.482 20 10 EECDHO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C ZINC000775711905 577443389 /nfs/dbraw/zinc/44/33/89/577443389.db2.gz KBVLHNOTXOUWRS-MSOLQXFVSA-N 1 3 330.520 2.353 20 10 EECDHO CC[N@H+]1C[C@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C ZINC000775711905 577443390 /nfs/dbraw/zinc/44/33/90/577443390.db2.gz KBVLHNOTXOUWRS-MSOLQXFVSA-N 1 3 330.520 2.353 20 10 EECDHO CCN1CCN(CCC[NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858096520 1294004868 /nfs/dbraw/zinc/00/48/68/1294004868.db2.gz GHLKUOYGUWHLGJ-UHFFFAOYSA-N 1 3 340.462 2.148 20 10 EECDHO CCN(Cc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008047 1305473615 /nfs/dbraw/zinc/47/36/15/1305473615.db2.gz PUSPNHBJEXIKBI-HXUWFJFHSA-N 1 3 330.520 2.402 20 10 EECDHO Cc1ccc(C)n1-c1ccc(-c2noc([C@@H]3CNCC34C[NH2+]C4)n2)cc1 ZINC001247830849 1310734349 /nfs/dbraw/zinc/73/43/49/1310734349.db2.gz PULKYHGFQXCLBR-KRWDZBQOSA-N 1 3 349.438 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140302451 1314861492 /nfs/dbraw/zinc/86/14/92/1314861492.db2.gz RJFYXEBOLWMLRC-MOPGFXCFSA-N 1 3 329.488 2.297 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140302451 1314861497 /nfs/dbraw/zinc/86/14/97/1314861497.db2.gz RJFYXEBOLWMLRC-MOPGFXCFSA-N 1 3 329.488 2.297 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H]4CC[C@@H](C3)C4=O)cc2)CC1 ZINC001140304386 1314862041 /nfs/dbraw/zinc/86/20/41/1314862041.db2.gz MYMCOMDMMQRJIZ-HDICACEKSA-N 1 3 327.472 2.239 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4=O)cc2)CC1 ZINC001140304386 1314862046 /nfs/dbraw/zinc/86/20/46/1314862046.db2.gz MYMCOMDMMQRJIZ-HDICACEKSA-N 1 3 327.472 2.239 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](CC(=O)OC)C3)cc2)CC1 ZINC001140309661 1314865371 /nfs/dbraw/zinc/86/53/71/1314865371.db2.gz PJAHSCPQTUKZMC-GOSISDBHSA-N 1 3 345.487 2.214 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](CC(=O)OC)C3)cc2)CC1 ZINC001140309661 1314865376 /nfs/dbraw/zinc/86/53/76/1314865376.db2.gz PJAHSCPQTUKZMC-GOSISDBHSA-N 1 3 345.487 2.214 20 10 EECDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895142 785051675 /nfs/dbraw/zinc/05/16/75/785051675.db2.gz RISGZAUFHFRYKL-YJBOKZPZSA-N 1 3 335.467 2.394 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000775742331 577444495 /nfs/dbraw/zinc/44/44/95/577444495.db2.gz UEWQWQKBMLSYMB-CTNGQTDRSA-N 1 3 342.531 2.355 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000775742331 577444496 /nfs/dbraw/zinc/44/44/96/577444496.db2.gz UEWQWQKBMLSYMB-CTNGQTDRSA-N 1 3 342.531 2.355 20 10 EECDHO CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)c3O)C[C@@H]1CNCCC2 ZINC001222136419 1299379812 /nfs/dbraw/zinc/37/98/12/1299379812.db2.gz UNYOAPPDSJLUFF-LPHOPBHVSA-N 1 3 332.444 2.065 20 10 EECDHO CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)c3O)C[C@@H]1CNCCC2 ZINC001222136419 1299379822 /nfs/dbraw/zinc/37/98/22/1299379822.db2.gz UNYOAPPDSJLUFF-LPHOPBHVSA-N 1 3 332.444 2.065 20 10 EECDHO COc1cc(Cl)cc(C[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c1[O-] ZINC001579155634 1344345461 /nfs/dbraw/zinc/34/54/61/1344345461.db2.gz RQEMJGRTAPMWOP-CQSZACIVSA-N 1 3 340.851 2.303 20 10 EECDHO C[NH+](C)CCCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768464891 577556434 /nfs/dbraw/zinc/55/64/34/577556434.db2.gz FXBFHCSEOFIMCW-SFHVURJKSA-N 1 3 334.460 2.372 20 10 EECDHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001034973600 1196930865 /nfs/dbraw/zinc/93/08/65/1196930865.db2.gz AHTZQKNNUPTRTK-QZTJIDSGSA-N 1 3 347.503 2.424 20 10 EECDHO COc1ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c([O-])c1 ZINC001275276445 1205295677 /nfs/dbraw/zinc/29/56/77/1205295677.db2.gz ZGVAAPGIOWCEQG-FQEVSTJZSA-N 1 3 347.503 2.250 20 10 EECDHO COc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c([O-])c1 ZINC001275276445 1205295678 /nfs/dbraw/zinc/29/56/78/1205295678.db2.gz ZGVAAPGIOWCEQG-FQEVSTJZSA-N 1 3 347.503 2.250 20 10 EECDHO CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001275912486 1205582004 /nfs/dbraw/zinc/58/20/04/1205582004.db2.gz AOBQWZMUQDARCH-UHFFFAOYSA-N 1 3 335.467 2.381 20 10 EECDHO CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001275912486 1205582005 /nfs/dbraw/zinc/58/20/05/1205582005.db2.gz AOBQWZMUQDARCH-UHFFFAOYSA-N 1 3 335.467 2.381 20 10 EECDHO CCOc1ccc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c([O-])c1 ZINC001276814928 1298479201 /nfs/dbraw/zinc/47/92/01/1298479201.db2.gz MHRZAWAVAFEJEG-UHFFFAOYSA-N 1 3 347.503 2.250 20 10 EECDHO CCOc1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c([O-])c1 ZINC001276814928 1298479204 /nfs/dbraw/zinc/47/92/04/1298479204.db2.gz MHRZAWAVAFEJEG-UHFFFAOYSA-N 1 3 347.503 2.250 20 10 EECDHO CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001254083353 1317998506 /nfs/dbraw/zinc/99/85/06/1317998506.db2.gz VYMORSZOJJOLMD-PMACEKPBSA-N 1 3 330.520 2.401 20 10 EECDHO NCc1cn([C@@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001328681551 1334497487 /nfs/dbraw/zinc/49/74/87/1334497487.db2.gz OCOJEWVARHRUGA-LJQANCHMSA-N 1 3 340.475 2.174 20 10 EECDHO NCc1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001328681551 1334497488 /nfs/dbraw/zinc/49/74/88/1334497488.db2.gz OCOJEWVARHRUGA-LJQANCHMSA-N 1 3 340.475 2.174 20 10 EECDHO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]C4(CCC4)C3)cc2F)CC1 ZINC001331417553 1335010606 /nfs/dbraw/zinc/01/06/06/1335010606.db2.gz CEJADYKMXWWONQ-KRWDZBQOSA-N 1 3 346.494 2.342 20 10 EECDHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895141 785051654 /nfs/dbraw/zinc/05/16/54/785051654.db2.gz RISGZAUFHFRYKL-QAPCUYQASA-N 1 3 335.467 2.394 20 10 EECDHO CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1)N(C)C ZINC000997014769 788469533 /nfs/dbraw/zinc/46/95/33/788469533.db2.gz JWRIOWHRPLUQRO-SFHVURJKSA-N 1 3 347.503 2.424 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001020590351 675219469 /nfs/dbraw/zinc/21/94/69/675219469.db2.gz SZTZXXZPHTXERP-ZTFGCOKTSA-N 1 3 345.487 2.082 20 10 EECDHO [NH3+][C@H](CC(=O)Nc1ccc([C@H]2CC[NH2+]C2)cc1)c1ccccc1[O-] ZINC001218996723 1297900456 /nfs/dbraw/zinc/90/04/56/1297900456.db2.gz NIKYZFURVXHONB-WMLDXEAASA-N 1 3 325.412 2.498 20 10 EECDHO CCOC(=O)[C@@]12C[N@H+](Cc3c(C)ccc(C)c3O)C[C@@H]1CNCCC2 ZINC001222130957 1299373987 /nfs/dbraw/zinc/37/39/87/1299373987.db2.gz LRENTIDWSKFVBO-JXFKEZNVSA-N 1 3 346.471 2.374 20 10 EECDHO CCOC(=O)[C@@]12C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]1CNCCC2 ZINC001222130957 1299374003 /nfs/dbraw/zinc/37/40/03/1299374003.db2.gz LRENTIDWSKFVBO-JXFKEZNVSA-N 1 3 346.471 2.374 20 10 EECDHO N[C@@]12CCC[C@@H]1C[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235239069 1305160309 /nfs/dbraw/zinc/16/03/09/1305160309.db2.gz DYKQPENJYNTJJN-OXQOHEQNSA-N 1 3 327.472 2.404 20 10 EECDHO N[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235239069 1305160313 /nfs/dbraw/zinc/16/03/13/1305160313.db2.gz DYKQPENJYNTJJN-OXQOHEQNSA-N 1 3 327.472 2.404 20 10 EECDHO CCO[C@H](CC[NH+](C)C)CNCc1cc(F)c(N(C)C)cc1F ZINC001329710070 1334700667 /nfs/dbraw/zinc/70/06/67/1334700667.db2.gz HDBKHVFFLVDNEI-CQSZACIVSA-N 1 3 329.435 2.477 20 10 EECDHO C[C@@H]1C[C@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834172 1337582207 /nfs/dbraw/zinc/58/22/07/1337582207.db2.gz KQNQZLURFBYSSZ-SOLBZPMBSA-N 1 3 348.510 2.383 20 10 EECDHO C[C@@H]1C[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834169 1337582395 /nfs/dbraw/zinc/58/23/95/1337582395.db2.gz KQNQZLURFBYSSZ-JFIYKMOQSA-N 1 3 348.510 2.383 20 10 EECDHO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809703909 783320538 /nfs/dbraw/zinc/32/05/38/783320538.db2.gz RTDMMRLQKLIOIH-GHTZIAJQSA-N 1 3 342.531 2.497 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC000775717876 577443614 /nfs/dbraw/zinc/44/36/14/577443614.db2.gz SMBZNRYTXMHVJT-QUCCMNQESA-N 1 3 328.504 2.107 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC000775717876 577443615 /nfs/dbraw/zinc/44/36/15/577443615.db2.gz SMBZNRYTXMHVJT-QUCCMNQESA-N 1 3 328.504 2.107 20 10 EECDHO CN1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(N3CCN(C)CC3)cc1)CC2 ZINC000775717876 577443616 /nfs/dbraw/zinc/44/36/16/577443616.db2.gz SMBZNRYTXMHVJT-QUCCMNQESA-N 1 3 328.504 2.107 20 10 EECDHO CN1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(N3CCN(C)CC3)cc1)CC2 ZINC000775717876 577443617 /nfs/dbraw/zinc/44/36/17/577443617.db2.gz SMBZNRYTXMHVJT-QUCCMNQESA-N 1 3 328.504 2.107 20 10 EECDHO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CN1C1CC1 ZINC000883283515 1202040151 /nfs/dbraw/zinc/04/01/51/1202040151.db2.gz IIQFCABADNPYPQ-SJLPKXTDSA-N 1 3 328.504 2.153 20 10 EECDHO Cc1cc(N2CCN(Cc3ccc(N(C)C)cc3O)CC2)cc[nH+]1 ZINC001232841787 1304268698 /nfs/dbraw/zinc/26/86/98/1304268698.db2.gz SBPHXLUOPOOZDB-UHFFFAOYSA-N 1 3 326.444 2.484 20 10 EECDHO [NH3+][C@H](c1ccccc1[O-])[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC001246342429 1310284493 /nfs/dbraw/zinc/28/44/93/1310284493.db2.gz OQMDIEQFCRYZHM-MJXNMMHHSA-N 1 3 327.428 2.181 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@H](O)CC3)cc2)CC1 ZINC001140301966 1314859974 /nfs/dbraw/zinc/85/99/74/1314859974.db2.gz FZEYXCBFLOOYNX-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](O)CC3)cc2)CC1 ZINC001140301966 1314859980 /nfs/dbraw/zinc/85/99/80/1314859980.db2.gz FZEYXCBFLOOYNX-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO COc1cc(Br)cc(CN2CCC(C[NH3+])CC2)c1O ZINC000843047654 1315828939 /nfs/dbraw/zinc/82/89/39/1315828939.db2.gz UCHFVRJGCUUMLH-UHFFFAOYSA-N 1 3 329.238 2.334 20 10 EECDHO CN1CCN(c2ccc(CN3CCCC[C@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206640332 1323552539 /nfs/dbraw/zinc/55/25/39/1323552539.db2.gz IUKOGADDPPMHCW-MRXNPFEDSA-N 1 3 334.483 2.138 20 10 EECDHO C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC001325321795 1333863249 /nfs/dbraw/zinc/86/32/49/1333863249.db2.gz ZSHNLKQWJBIVLT-WBVHZDCISA-N 1 3 334.483 2.055 20 10 EECDHO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326221832 1334046138 /nfs/dbraw/zinc/04/61/38/1334046138.db2.gz KENPOFIMTAFQQV-WBVHZDCISA-N 1 3 334.483 2.137 20 10 EECDHO CCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CC[N@H+](C)C1 ZINC001328522030 1334473768 /nfs/dbraw/zinc/47/37/68/1334473768.db2.gz IZTRRPCIXUXNHE-SFHVURJKSA-N 1 3 348.510 2.494 20 10 EECDHO CCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@H]1CC[N@@H+](C)C1 ZINC001328522030 1334473770 /nfs/dbraw/zinc/47/37/70/1334473770.db2.gz IZTRRPCIXUXNHE-SFHVURJKSA-N 1 3 348.510 2.494 20 10 EECDHO [NH3+]C[C@H]1CCCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895139 785051641 /nfs/dbraw/zinc/05/16/41/785051641.db2.gz RISGZAUFHFRYKL-CRAIPNDOSA-N 1 3 335.467 2.394 20 10 EECDHO COc1ccc(O)c(CNCc2ccncc2OCCC[NH+](C)C)c1 ZINC000290062666 464106006 /nfs/dbraw/zinc/10/60/06/464106006.db2.gz FIBPUFBBLUVJQE-UHFFFAOYSA-N 1 3 345.443 2.416 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000891247190 676241538 /nfs/dbraw/zinc/24/15/38/676241538.db2.gz GVGPETCXJUNYRF-IBGZPJMESA-N 1 3 346.519 2.203 20 10 EECDHO CCCOc1ccc(C[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1C ZINC000873044113 1198482522 /nfs/dbraw/zinc/48/25/22/1198482522.db2.gz CUSWTWYUSYMZMS-GOSISDBHSA-N 1 3 347.503 2.461 20 10 EECDHO COc1cc(CN2CCC[C@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139254648 1314722328 /nfs/dbraw/zinc/72/23/28/1314722328.db2.gz KKVCBBICWGMNTB-IBGZPJMESA-N 1 3 334.460 2.465 20 10 EECDHO CCN1CCN(c2ccc(C[NH+]3CCC4(COC4)CC3)cc2)CC1 ZINC001140300925 1314858869 /nfs/dbraw/zinc/85/88/69/1314858869.db2.gz WFFKMSVPVHOVHF-UHFFFAOYSA-N 1 3 329.488 2.441 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@](C)(O)C3)cc2)CC1 ZINC001140302527 1314861091 /nfs/dbraw/zinc/86/10/91/1314861091.db2.gz SZPFUSGRXYUIGG-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@](C)(O)C3)cc2)CC1 ZINC001140302527 1314861096 /nfs/dbraw/zinc/86/10/96/1314861096.db2.gz SZPFUSGRXYUIGG-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO CC[C@@H](C(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001100684756 1338637658 /nfs/dbraw/zinc/63/76/58/1338637658.db2.gz NNQALCJVBQBIFO-ABHNRTSZSA-N 1 3 347.503 2.328 20 10 EECDHO CN1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823466 577232843 /nfs/dbraw/zinc/23/28/43/577232843.db2.gz CWARXCJOVSBXBV-UYAOXDASSA-N 1 3 328.504 2.155 20 10 EECDHO CN1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823466 577232844 /nfs/dbraw/zinc/23/28/44/577232844.db2.gz CWARXCJOVSBXBV-UYAOXDASSA-N 1 3 328.504 2.155 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC000969956511 675343462 /nfs/dbraw/zinc/34/34/62/675343462.db2.gz XOJCFUBKSRPLBF-MAUKXSAKSA-N 1 3 345.487 2.036 20 10 EECDHO COc1cccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000702559971 1196011026 /nfs/dbraw/zinc/01/10/26/1196011026.db2.gz AWWAGHVOVOOPPN-FQEVSTJZSA-N 1 3 342.439 2.127 20 10 EECDHO COc1cccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000702559971 1196011030 /nfs/dbraw/zinc/01/10/30/1196011030.db2.gz AWWAGHVOVOOPPN-FQEVSTJZSA-N 1 3 342.439 2.127 20 10 EECDHO CCCOc1ccc(C[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1C ZINC000873044114 1198482573 /nfs/dbraw/zinc/48/25/73/1198482573.db2.gz CUSWTWYUSYMZMS-SFHVURJKSA-N 1 3 347.503 2.461 20 10 EECDHO C[NH+](C)CCN1CCN(Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233287003 1304417277 /nfs/dbraw/zinc/41/72/77/1304417277.db2.gz RPHOQBNXDZXEPZ-UHFFFAOYSA-N 1 3 347.503 2.286 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)[C@H]3CO)cc2)CC1 ZINC001140302659 1314861118 /nfs/dbraw/zinc/86/11/18/1314861118.db2.gz WZMDFGDSXHTAEN-FXAWDEMLSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](C)[C@H]3CO)cc2)CC1 ZINC001140302659 1314861125 /nfs/dbraw/zinc/86/11/25/1314861125.db2.gz WZMDFGDSXHTAEN-FXAWDEMLSA-N 1 3 331.504 2.421 20 10 EECDHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335664823 1336409217 /nfs/dbraw/zinc/40/92/17/1336409217.db2.gz GGDYSOZWVSWTIH-AEFFLSMTSA-N 1 3 349.523 2.028 20 10 EECDHO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374254137 467034648 /nfs/dbraw/zinc/03/46/48/467034648.db2.gz LBHQIOYJWUWOKZ-PXNSSMCTSA-N 1 3 330.520 2.210 20 10 EECDHO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C ZINC000775711906 577443372 /nfs/dbraw/zinc/44/33/72/577443372.db2.gz KBVLHNOTXOUWRS-QZTJIDSGSA-N 1 3 330.520 2.353 20 10 EECDHO CC[N@H+]1C[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C ZINC000775711906 577443373 /nfs/dbraw/zinc/44/33/73/577443373.db2.gz KBVLHNOTXOUWRS-QZTJIDSGSA-N 1 3 330.520 2.353 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000775714150 577443483 /nfs/dbraw/zinc/44/34/83/577443483.db2.gz MWFHMXRWRDQNQU-HXUWFJFHSA-N 1 3 342.531 2.356 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCCC4(COC4)C3)cc2)CC1 ZINC001140301883 1314860465 /nfs/dbraw/zinc/86/04/65/1314860465.db2.gz CDOHIJULLJJJRF-UHFFFAOYSA-N 1 3 329.488 2.441 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCCC4(COC4)C3)cc2)CC1 ZINC001140301883 1314860468 /nfs/dbraw/zinc/86/04/68/1314860468.db2.gz CDOHIJULLJJJRF-UHFFFAOYSA-N 1 3 329.488 2.441 20 10 EECDHO COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c1[O-] ZINC000841084622 1315470843 /nfs/dbraw/zinc/47/08/43/1315470843.db2.gz MBXRMDSUKQQDOP-BXKDBHETSA-N 1 3 329.238 2.380 20 10 EECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157435089 1318638259 /nfs/dbraw/zinc/63/82/59/1318638259.db2.gz RGRDMVBKZCDFOY-WMZOPIPTSA-N 1 3 345.487 2.076 20 10 EECDHO COC(=O)[C@H]1CCCN(C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203560894 1321912248 /nfs/dbraw/zinc/91/22/48/1321912248.db2.gz JVTOXGCATFTQSZ-INIZCTEOSA-N 1 3 332.444 2.242 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1C ZINC001755693590 1407739294 /nfs/dbraw/zinc/73/92/94/1407739294.db2.gz QOEALVGHJZIWDB-WMZOPIPTSA-N 1 3 347.503 2.423 20 10 EECDHO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809703917 783320280 /nfs/dbraw/zinc/32/02/80/783320280.db2.gz RTDMMRLQKLIOIH-WIYYLYMNSA-N 1 3 342.531 2.497 20 10 EECDHO [NH3+]C[C@H]1CCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935372 785079945 /nfs/dbraw/zinc/07/99/45/785079945.db2.gz NNZZDTRMYWQHOZ-CZUORRHYSA-N 1 3 325.403 2.018 20 10 EECDHO CCN1CCC([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775648070 577441828 /nfs/dbraw/zinc/44/18/28/577441828.db2.gz PCZGUYFFILQYBO-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO CCN1CCC([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775648070 577441829 /nfs/dbraw/zinc/44/18/29/577441829.db2.gz PCZGUYFFILQYBO-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO Cc1cccc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)c1O ZINC001276079704 1205762865 /nfs/dbraw/zinc/76/28/65/1205762865.db2.gz DVBSYMLKIGPIMK-UHFFFAOYSA-N 1 3 345.487 2.077 20 10 EECDHO [NH3+][C@H](CC(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1)c1ccccc1[O-] ZINC001219818944 1298156248 /nfs/dbraw/zinc/15/62/48/1298156248.db2.gz VEGVLTOTDRDPMA-MDZRGWNJSA-N 1 3 325.412 2.002 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])N(C)C)cc1 ZINC001122328584 1310261616 /nfs/dbraw/zinc/26/16/16/1310261616.db2.gz PWWUZZCFZBXXQV-BJLQDIEVSA-N 1 3 346.519 2.379 20 10 EECDHO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140304577 1314862109 /nfs/dbraw/zinc/86/21/09/1314862109.db2.gz VNDXHYBVKPSMLE-SFHVURJKSA-N 1 3 345.487 2.214 20 10 EECDHO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140304577 1314862115 /nfs/dbraw/zinc/86/21/15/1314862115.db2.gz VNDXHYBVKPSMLE-SFHVURJKSA-N 1 3 345.487 2.214 20 10 EECDHO Cc1cc(N(C)C)ccc1CNC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000840932554 1315439656 /nfs/dbraw/zinc/43/96/56/1315439656.db2.gz RYAZRNWNIWEZJF-UHFFFAOYSA-N 1 3 346.519 2.093 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CC23CCCC3)N(C)C)cc1 ZINC001263260293 1322449057 /nfs/dbraw/zinc/44/90/57/1322449057.db2.gz WXEDMZUNKIADNP-QZTJIDSGSA-N 1 3 344.503 2.004 20 10 EECDHO CC(C)[NH+]1CCC(O)(CNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC001331499213 1335024065 /nfs/dbraw/zinc/02/40/65/1335024065.db2.gz RFEFZBHTNXHCOO-UHFFFAOYSA-N 1 3 341.446 2.356 20 10 EECDHO CCN1CCN(c2ccc(CN[C@@H]3CC[NH2+]CC[C@@H]3C)cc2F)CC1 ZINC000817902291 785055399 /nfs/dbraw/zinc/05/53/99/785055399.db2.gz MKIQPJLDXNJAFH-QFBILLFUSA-N 1 3 348.510 2.445 20 10 EECDHO CCC[N@@H+]1CC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876964240 1199831052 /nfs/dbraw/zinc/83/10/52/1199831052.db2.gz VYBCPYFJOVGFFG-GOSISDBHSA-N 1 3 331.504 2.469 20 10 EECDHO CCC[N@H+]1CC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876964240 1199831056 /nfs/dbraw/zinc/83/10/56/1199831056.db2.gz VYBCPYFJOVGFFG-GOSISDBHSA-N 1 3 331.504 2.469 20 10 EECDHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC000969077079 1221788052 /nfs/dbraw/zinc/78/80/52/1221788052.db2.gz KDFDTFODQMYDBT-IAGOWNOFSA-N 1 3 333.476 2.034 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC001018972797 1228594977 /nfs/dbraw/zinc/59/49/77/1228594977.db2.gz PPIXGUOKFKEAJI-KRWDZBQOSA-N 1 3 345.487 2.178 20 10 EECDHO C[N@H+]1C[C@H]2CN(Cc3cc4c5c(c3O)CCCN5CCC4)C[C@H]2C1 ZINC001138339437 1314602524 /nfs/dbraw/zinc/60/25/24/1314602524.db2.gz FVEVWONSPQJHOO-CALCHBBNSA-N 1 3 327.472 2.084 20 10 EECDHO C[N@@H+]1C[C@H]2CN(Cc3cc4c5c(c3O)CCCN5CCC4)C[C@H]2C1 ZINC001138339437 1314602525 /nfs/dbraw/zinc/60/25/25/1314602525.db2.gz FVEVWONSPQJHOO-CALCHBBNSA-N 1 3 327.472 2.084 20 10 EECDHO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140304576 1314862381 /nfs/dbraw/zinc/86/23/81/1314862381.db2.gz VNDXHYBVKPSMLE-GOSISDBHSA-N 1 3 345.487 2.214 20 10 EECDHO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(CC)CC3)cc2)C1 ZINC001140304576 1314862386 /nfs/dbraw/zinc/86/23/86/1314862386.db2.gz VNDXHYBVKPSMLE-GOSISDBHSA-N 1 3 345.487 2.214 20 10 EECDHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]21 ZINC000843060240 1315832427 /nfs/dbraw/zinc/83/24/27/1315832427.db2.gz YYHMFBWVUUSZQV-JFIYKMOQSA-N 1 3 333.451 2.222 20 10 EECDHO COc1cccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000377623812 467099196 /nfs/dbraw/zinc/09/91/96/467099196.db2.gz IKLGIGBMULMLJL-QGZVFWFLSA-N 1 3 333.476 2.001 20 10 EECDHO COc1cccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1O ZINC000377623812 467099198 /nfs/dbraw/zinc/09/91/98/467099198.db2.gz IKLGIGBMULMLJL-QGZVFWFLSA-N 1 3 333.476 2.001 20 10 EECDHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001026916520 685314906 /nfs/dbraw/zinc/31/49/06/685314906.db2.gz JAXLHRKZNKKIJG-ZWKOTPCHSA-N 1 3 347.503 2.282 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1C ZINC000989798829 692331253 /nfs/dbraw/zinc/33/12/53/692331253.db2.gz GLJKYIJQPQODCL-FUHWJXTLSA-N 1 3 345.487 2.178 20 10 EECDHO COc1ccc(C[NH2+]CCCNC(=O)[C@@H](C(C)C)N(C)C)cc1C ZINC001166010217 1321635390 /nfs/dbraw/zinc/63/53/90/1321635390.db2.gz LPBSNDMYXHBHOY-GOSISDBHSA-N 1 3 335.492 2.186 20 10 EECDHO C[C@@H]1CCC[N@H+](CCNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001308200741 1331572363 /nfs/dbraw/zinc/57/23/63/1331572363.db2.gz RRAGJASWKBJACY-QGZVFWFLSA-N 1 3 348.510 2.399 20 10 EECDHO C[C@@H]1CCC[N@@H+](CCNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001308200741 1331572364 /nfs/dbraw/zinc/57/23/64/1331572364.db2.gz RRAGJASWKBJACY-QGZVFWFLSA-N 1 3 348.510 2.399 20 10 EECDHO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809703915 783320475 /nfs/dbraw/zinc/32/04/75/783320475.db2.gz RTDMMRLQKLIOIH-RXVVDRJESA-N 1 3 342.531 2.497 20 10 EECDHO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN2CCCC2)cc1C ZINC001035126221 783847966 /nfs/dbraw/zinc/84/79/66/783847966.db2.gz VKZXINVSIBOQBE-GOSISDBHSA-N 1 3 345.487 2.180 20 10 EECDHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001027070090 686116659 /nfs/dbraw/zinc/11/66/59/686116659.db2.gz JAXLHRKZNKKIJG-ROUUACIJSA-N 1 3 347.503 2.282 20 10 EECDHO COc1ccc(N2CCN(CC[C@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000866697152 1201582730 /nfs/dbraw/zinc/58/27/30/1201582730.db2.gz HPDQMNZJJSNOQV-MRXNPFEDSA-N 1 3 333.476 2.216 20 10 EECDHO COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCCN2C(C)C)cc1C ZINC001134767024 1278013578 /nfs/dbraw/zinc/01/35/78/1278013578.db2.gz PUVGYRGPIXILDN-SFHVURJKSA-N 1 3 347.503 2.472 20 10 EECDHO CCN1CCN(c2ccc(O[C@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC001218451059 1297668002 /nfs/dbraw/zinc/66/80/02/1297668002.db2.gz CDZABMAQHLTXEO-INIZCTEOSA-N 1 3 325.403 2.205 20 10 EECDHO CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2F)CC1 ZINC001261506377 1322116371 /nfs/dbraw/zinc/11/63/71/1322116371.db2.gz QGRCDACEEQYJQR-PXNSSMCTSA-N 1 3 346.494 2.138 20 10 EECDHO COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001755236118 1407244431 /nfs/dbraw/zinc/24/44/31/1407244431.db2.gz DNYUCVQXIQPBCC-HZPDHXFCSA-N 1 3 347.503 2.471 20 10 EECDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001755663769 1407713812 /nfs/dbraw/zinc/71/38/12/1407713812.db2.gz OCYVASZUOFVVMR-SJLPKXTDSA-N 1 3 347.503 2.424 20 10 EECDHO CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[O-] ZINC000817973253 785124116 /nfs/dbraw/zinc/12/41/16/785124116.db2.gz RTDKTKGVOXMWID-ZFWWWQNUSA-N 1 3 331.382 2.269 20 10 EECDHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846144347 790073579 /nfs/dbraw/zinc/07/35/79/790073579.db2.gz IVGZHQLPVLFMBX-JKSUJKDBSA-N 1 3 335.492 2.325 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC000969844054 675246636 /nfs/dbraw/zinc/24/66/36/675246636.db2.gz CPOUUNFPKDHHGP-IEBWSBKVSA-N 1 3 347.503 2.280 20 10 EECDHO CCN1CCN(c2ccc(CN3C[C@H]4CCC[NH2+][C@H]4C3)cc2)CC1 ZINC001235218333 1305154073 /nfs/dbraw/zinc/15/40/73/1305154073.db2.gz FSTWFURHQITRBB-QUCCMNQESA-N 1 3 328.504 2.012 20 10 EECDHO C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(-c2ccccc2)c1[O-] ZINC001236080430 1305496551 /nfs/dbraw/zinc/49/65/51/1305496551.db2.gz AHJPXGUVPPFQBV-UHFFFAOYSA-N 1 3 325.456 2.396 20 10 EECDHO C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(-c2ccccc2)c1[O-] ZINC001236080430 1305496553 /nfs/dbraw/zinc/49/65/53/1305496553.db2.gz AHJPXGUVPPFQBV-UHFFFAOYSA-N 1 3 325.456 2.396 20 10 EECDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CC4CCN(CC4)C3)cc2)CC1 ZINC001254836353 1318201052 /nfs/dbraw/zinc/20/10/52/1318201052.db2.gz LEZGVXYHOOHDDO-LJQANCHMSA-N 1 3 328.504 2.012 20 10 EECDHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203460621 1321885092 /nfs/dbraw/zinc/88/50/92/1321885092.db2.gz SKDUQYGJNAISAV-UHFFFAOYSA-N 1 3 347.503 2.426 20 10 EECDHO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324158407 1333621062 /nfs/dbraw/zinc/62/10/62/1333621062.db2.gz LNKGDDKHFGPRRY-MRXNPFEDSA-N 1 3 336.499 2.396 20 10 EECDHO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324158407 1333621068 /nfs/dbraw/zinc/62/10/68/1333621068.db2.gz LNKGDDKHFGPRRY-MRXNPFEDSA-N 1 3 336.499 2.396 20 10 EECDHO CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001324158407 1333621071 /nfs/dbraw/zinc/62/10/71/1333621071.db2.gz LNKGDDKHFGPRRY-MRXNPFEDSA-N 1 3 336.499 2.396 20 10 EECDHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817895140 785052048 /nfs/dbraw/zinc/05/20/48/785052048.db2.gz RISGZAUFHFRYKL-MAUKXSAKSA-N 1 3 335.467 2.394 20 10 EECDHO C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000817899955 785055798 /nfs/dbraw/zinc/05/57/98/785055798.db2.gz NRAMNLUEOLVWBB-GXTWGEPZSA-N 1 3 325.403 2.454 20 10 EECDHO COc1ccc(O)c([C@@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000192787844 1210593800 /nfs/dbraw/zinc/59/38/00/1210593800.db2.gz OQFQVMJCAJZPDQ-MRXNPFEDSA-N 1 3 335.492 2.468 20 10 EECDHO COc1cc(CN2CC[C@H]3OCCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253330 1314721445 /nfs/dbraw/zinc/72/14/45/1314721445.db2.gz RBVOCWXWZCMXDH-DOTOQJQBSA-N 1 3 334.460 2.463 20 10 EECDHO CCC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCN(C)C1 ZINC000843421379 1315911919 /nfs/dbraw/zinc/91/19/19/1315911919.db2.gz CRMBMNLTKMHRDC-HXUWFJFHSA-N 1 3 330.520 2.355 20 10 EECDHO CCC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCN(C)C1 ZINC000843421379 1315911923 /nfs/dbraw/zinc/91/19/23/1315911923.db2.gz CRMBMNLTKMHRDC-HXUWFJFHSA-N 1 3 330.520 2.355 20 10 EECDHO CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001254083355 1317998217 /nfs/dbraw/zinc/99/82/17/1317998217.db2.gz VYMORSZOJJOLMD-VQTJNVASSA-N 1 3 330.520 2.401 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CN(C)C(C)C)C2)cc1C ZINC001755693586 1407738612 /nfs/dbraw/zinc/73/86/12/1407738612.db2.gz QOEALVGHJZIWDB-FUHWJXTLSA-N 1 3 347.503 2.423 20 10 EECDHO C[NH2+]CCC1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000844222522 788913773 /nfs/dbraw/zinc/91/37/73/788913773.db2.gz FAOTWIWCRFKLSR-UHFFFAOYSA-N 1 3 346.519 2.033 20 10 EECDHO CC(C)[NH2+]C1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775671130 577442346 /nfs/dbraw/zinc/44/23/46/577442346.db2.gz WJYZLSZYOLSBGQ-UHFFFAOYSA-N 1 3 330.520 2.401 20 10 EECDHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251030 676247229 /nfs/dbraw/zinc/24/72/29/676247229.db2.gz BYGNJYJLVYZBSY-JTDSTZFVSA-N 1 3 346.519 2.344 20 10 EECDHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251030 676247230 /nfs/dbraw/zinc/24/72/30/676247230.db2.gz BYGNJYJLVYZBSY-JTDSTZFVSA-N 1 3 346.519 2.344 20 10 EECDHO COc1ccc(C[NH2+]CCNC(=O)CN(C)CC(C)(C)C)cc1C ZINC001133908617 1199159861 /nfs/dbraw/zinc/15/98/61/1199159861.db2.gz ZIQRHTBGBKSOBE-UHFFFAOYSA-N 1 3 335.492 2.187 20 10 EECDHO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877524978 1199956178 /nfs/dbraw/zinc/95/61/78/1199956178.db2.gz MSOYJUQJAMVTJV-GOSISDBHSA-N 1 3 331.504 2.468 20 10 EECDHO CC(C)[N@H+]1CC[C@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877524978 1199956181 /nfs/dbraw/zinc/95/61/81/1199956181.db2.gz MSOYJUQJAMVTJV-GOSISDBHSA-N 1 3 331.504 2.468 20 10 EECDHO CCN(CC)c1ccc(CN2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(OC)c1 ZINC001235039209 1305094063 /nfs/dbraw/zinc/09/40/63/1305094063.db2.gz VRQOKRVJUUWOOM-YLJYHZDGSA-N 1 3 347.503 2.352 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@](C)(O)[C@H](C)C3)cc2)CC1 ZINC001140302507 1314861357 /nfs/dbraw/zinc/86/13/57/1314861357.db2.gz SOXIDFLKWNEFOH-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)[C@H](C)C3)cc2)CC1 ZINC001140302507 1314861362 /nfs/dbraw/zinc/86/13/62/1314861362.db2.gz SOXIDFLKWNEFOH-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO Cc1cc(C)c(C[NH+]2CCC(N3CCC(C(N)=O)CC3)CC2)c(O)c1 ZINC001231848633 1303930080 /nfs/dbraw/zinc/93/00/80/1303930080.db2.gz JCGKYKXAWLCNSU-UHFFFAOYSA-N 1 3 345.487 2.171 20 10 EECDHO [NH3+]C[C@@]1(O)CCCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681304 1323243055 /nfs/dbraw/zinc/24/30/55/1323243055.db2.gz HYNXLFFTZNLOGO-FQEVSTJZSA-N 1 3 329.488 2.061 20 10 EECDHO NC[C@@]1(O)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681304 1323243067 /nfs/dbraw/zinc/24/30/67/1323243067.db2.gz HYNXLFFTZNLOGO-FQEVSTJZSA-N 1 3 329.488 2.061 20 10 EECDHO NC[C@@]1(O)CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681304 1323243072 /nfs/dbraw/zinc/24/30/72/1323243072.db2.gz HYNXLFFTZNLOGO-FQEVSTJZSA-N 1 3 329.488 2.061 20 10 EECDHO O[C@@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921861590 797698860 /nfs/dbraw/zinc/69/88/60/797698860.db2.gz XQFXLWKSAOMPRT-RBUKOAKNSA-N 1 3 330.472 2.479 20 10 EECDHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243757 676235286 /nfs/dbraw/zinc/23/52/86/676235286.db2.gz UVSMYBYHYAWZPB-OALUTQOASA-N 1 3 346.519 2.344 20 10 EECDHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891243757 676235288 /nfs/dbraw/zinc/23/52/88/676235288.db2.gz UVSMYBYHYAWZPB-OALUTQOASA-N 1 3 346.519 2.344 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)[C@H](C)C3)cc2)CC1 ZINC001140302501 1314860983 /nfs/dbraw/zinc/86/09/83/1314860983.db2.gz SJSIJYIYIXGQLI-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)[C@H](C)C3)cc2)CC1 ZINC001140302501 1314860987 /nfs/dbraw/zinc/86/09/87/1314860987.db2.gz SJSIJYIYIXGQLI-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO COc1ccc(Br)c(C[NH+]2CCC(C[NH3+])CC2)c1[O-] ZINC001205047540 1322273100 /nfs/dbraw/zinc/27/31/00/1322273100.db2.gz YMNQPBKFFPXSPE-UHFFFAOYSA-N 1 3 329.238 2.334 20 10 EECDHO CN1CCN(c2ccc(CN3CCC(C[NH+](C)C)CC3)cc2F)CC1 ZINC001319690488 1332742601 /nfs/dbraw/zinc/74/26/01/1332742601.db2.gz FXQKDFCJQVZXKE-UHFFFAOYSA-N 1 3 348.510 2.351 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000775742336 577444446 /nfs/dbraw/zinc/44/44/46/577444446.db2.gz UEWQWQKBMLSYMB-TZIWHRDSSA-N 1 3 342.531 2.355 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000775742336 577444447 /nfs/dbraw/zinc/44/44/47/577444447.db2.gz UEWQWQKBMLSYMB-TZIWHRDSSA-N 1 3 342.531 2.355 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCCC3)[C@H]2C)cc1C ZINC000987531826 689809017 /nfs/dbraw/zinc/80/90/17/689809017.db2.gz OKJMHRIJIPLOKI-WMZOPIPTSA-N 1 3 345.487 2.178 20 10 EECDHO C[NH+](C)CCN1CC2(C1)CN(Cc1cccc(C(C)(C)C)c1O)C2 ZINC001275802724 1205541386 /nfs/dbraw/zinc/54/13/86/1205541386.db2.gz MLJKQISSVWHBEU-UHFFFAOYSA-N 1 3 331.504 2.369 20 10 EECDHO CCN1CCN(c2ccc(CN(C(C)C)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC001236530036 1305590638 /nfs/dbraw/zinc/59/06/38/1305590638.db2.gz OIPGDEFLFWXIIC-HXUWFJFHSA-N 1 3 330.520 2.401 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)C23CCC[NH+]2CCC3)N(C)C)cc1 ZINC001336624824 1336572320 /nfs/dbraw/zinc/57/23/20/1336572320.db2.gz QHIAQQKEBNMNEW-SFHVURJKSA-N 1 3 344.503 2.100 20 10 EECDHO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374254136 467034615 /nfs/dbraw/zinc/03/46/15/467034615.db2.gz LBHQIOYJWUWOKZ-FXAWDEMLSA-N 1 3 330.520 2.210 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC001018963769 1228580179 /nfs/dbraw/zinc/58/01/79/1228580179.db2.gz XIJSFOWLUJQQFK-KRWDZBQOSA-N 1 3 345.487 2.178 20 10 EECDHO Cc1nccn1CCC[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000800900137 1234774054 /nfs/dbraw/zinc/77/40/54/1234774054.db2.gz MSXYUKODMVMERX-UHFFFAOYSA-N 1 3 327.476 2.123 20 10 EECDHO COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCCN2C(C)C)cc1C ZINC001134767023 1278013801 /nfs/dbraw/zinc/01/38/01/1278013801.db2.gz PUVGYRGPIXILDN-GOSISDBHSA-N 1 3 347.503 2.472 20 10 EECDHO COC(=O)CC[N@H+](CCCN(C)C)Cc1c(C)cc(OC)cc1O ZINC001236813399 1305686946 /nfs/dbraw/zinc/68/69/46/1305686946.db2.gz KAWRWQCXIOLZLD-UHFFFAOYSA-N 1 3 338.448 2.026 20 10 EECDHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1c(C)cc(OC)cc1O ZINC001236813399 1305686957 /nfs/dbraw/zinc/68/69/57/1305686957.db2.gz KAWRWQCXIOLZLD-UHFFFAOYSA-N 1 3 338.448 2.026 20 10 EECDHO CN1CCN(c2ccc(CN3CC[NH+](C(C)(C)C)CC3)cc2)CC1 ZINC001139409381 1314740594 /nfs/dbraw/zinc/74/05/94/1314740594.db2.gz KTFACHBVAYUAIR-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000839564758 1315215455 /nfs/dbraw/zinc/21/54/55/1315215455.db2.gz YBYSHOSSPNNCQZ-HNNXBMFYSA-N 1 3 332.492 2.004 20 10 EECDHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001262585278 1322328553 /nfs/dbraw/zinc/32/85/53/1322328553.db2.gz YJFFRDIBILNXBD-FUHWJXTLSA-N 1 3 349.523 2.172 20 10 EECDHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001027217670 686827888 /nfs/dbraw/zinc/82/78/88/686827888.db2.gz NNWCELHJJGTEJW-GOSISDBHSA-N 1 3 345.487 2.038 20 10 EECDHO COc1ccc(C[NH2+]C2CC(CNC(=O)CN(C)C(C)C)C2)cc1C ZINC001101036406 1259598722 /nfs/dbraw/zinc/59/87/22/1259598722.db2.gz PYVFNJKTWVVTLI-UHFFFAOYSA-N 1 3 347.503 2.328 20 10 EECDHO CN1CCN(c2ccc(CN3CCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243892 1299434549 /nfs/dbraw/zinc/43/45/49/1299434549.db2.gz QOBAJFVILCIHHK-FQEVSTJZSA-N 1 3 328.504 2.156 20 10 EECDHO CCN(CC)c1ccc(CN2CCC[C@H](N3CC([NH3+])C3)C2)c(OC)c1 ZINC001236074495 1305492068 /nfs/dbraw/zinc/49/20/68/1305492068.db2.gz YZORSJYFYDKBSO-IBGZPJMESA-N 1 3 346.519 2.149 20 10 EECDHO COc1cc(CN2CCC3(C[C@@H]3CCO)CC2)cc(C[NH+](C)C)c1O ZINC001139254712 1314722102 /nfs/dbraw/zinc/72/21/02/1314722102.db2.gz LFGZTJUTFLZSPZ-KRWDZBQOSA-N 1 3 348.487 2.447 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C)[C@@H]3CO)cc2)CC1 ZINC001140302660 1314861324 /nfs/dbraw/zinc/86/13/24/1314861324.db2.gz WZMDFGDSXHTAEN-PXNSSMCTSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](C)[C@@H]3CO)cc2)CC1 ZINC001140302660 1314861328 /nfs/dbraw/zinc/86/13/28/1314861328.db2.gz WZMDFGDSXHTAEN-PXNSSMCTSA-N 1 3 331.504 2.421 20 10 EECDHO CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001262585280 1322328035 /nfs/dbraw/zinc/32/80/35/1322328035.db2.gz YJFFRDIBILNXBD-WMZOPIPTSA-N 1 3 349.523 2.172 20 10 EECDHO CCN1CCN(c2ccc(CN[C@@H]3CC[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000817902292 785054632 /nfs/dbraw/zinc/05/46/32/785054632.db2.gz MKIQPJLDXNJAFH-VQIMIIECSA-N 1 3 348.510 2.445 20 10 EECDHO O[C@H]1CCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921861586 797698546 /nfs/dbraw/zinc/69/85/46/797698546.db2.gz XQFXLWKSAOMPRT-OALUTQOASA-N 1 3 330.472 2.479 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)c2cccc(C[NH3+])c2)N(C)C)cc1 ZINC001514581859 1118797435 /nfs/dbraw/zinc/79/74/35/1118797435.db2.gz OHTKNVSQOVGEAU-LJQANCHMSA-N 1 3 340.471 2.244 20 10 EECDHO CN(C)c1ccc(CN2CCC(C[NH+]3CCN(C)CC3)CC2)cc1F ZINC000377632871 467101992 /nfs/dbraw/zinc/10/19/92/467101992.db2.gz VZEONHMIUYHBGF-UHFFFAOYSA-N 1 3 348.510 2.351 20 10 EECDHO CN(C)CC[N@H+]1CC[C@H]2C[NH+](Cc3c([O-])cccc3F)C[C@H]2CC1 ZINC001276359958 1213985073 /nfs/dbraw/zinc/98/50/73/1213985073.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 3 335.467 2.237 20 10 EECDHO CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3c([O-])cccc3F)C[C@H]2CC1 ZINC001276359958 1213985080 /nfs/dbraw/zinc/98/50/80/1213985080.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 3 335.467 2.237 20 10 EECDHO CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@H]2CC1 ZINC001276359958 1213985085 /nfs/dbraw/zinc/98/50/85/1213985085.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 3 335.467 2.237 20 10 EECDHO CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@H]2CC1 ZINC001276359958 1213985089 /nfs/dbraw/zinc/98/50/89/1213985089.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 3 335.467 2.237 20 10 EECDHO C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@H]2CC1 ZINC001276359958 1213985095 /nfs/dbraw/zinc/98/50/95/1213985095.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 3 335.467 2.237 20 10 EECDHO C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@H]2CC1 ZINC001276359958 1213985099 /nfs/dbraw/zinc/98/50/99/1213985099.db2.gz OGCURFRCAQQICU-IYBDPMFKSA-N 1 3 335.467 2.237 20 10 EECDHO Cc1cc([O-])c(CN(CC[NH+](C)C)[C@H]2CCC[NH2+]C2)cc1Cl ZINC001236930431 1305731741 /nfs/dbraw/zinc/73/17/41/1305731741.db2.gz ANNVHIFWVUBWKK-HNNXBMFYSA-N 1 3 325.884 2.470 20 10 EECDHO CCN1CCN(c2ccc(CN3CC([NH+]4CCCCC4)C3)cc2)CC1 ZINC001140306411 1314863178 /nfs/dbraw/zinc/86/31/78/1314863178.db2.gz RAOLOKIVYAJOSR-UHFFFAOYSA-N 1 3 342.531 2.499 20 10 EECDHO CCN1CCC([N@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319798819 1332770280 /nfs/dbraw/zinc/77/02/80/1332770280.db2.gz MXYGHHYCGQZKSG-UHFFFAOYSA-N 1 3 348.510 2.494 20 10 EECDHO CCN1CCC([N@@H+](C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319798819 1332770282 /nfs/dbraw/zinc/77/02/82/1332770282.db2.gz MXYGHHYCGQZKSG-UHFFFAOYSA-N 1 3 348.510 2.494 20 10 EECDHO CC[NH+]1CCC(N(C)Cc2ccc(N3CCN(C)CC3)c(F)c2)CC1 ZINC001319798819 1332770285 /nfs/dbraw/zinc/77/02/85/1332770285.db2.gz MXYGHHYCGQZKSG-UHFFFAOYSA-N 1 3 348.510 2.494 20 10 EECDHO C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001325321791 1333863372 /nfs/dbraw/zinc/86/33/72/1333863372.db2.gz ZSHNLKQWJBIVLT-DOTOQJQBSA-N 1 3 334.483 2.055 20 10 EECDHO COc1cc(C)cc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000894770525 683076366 /nfs/dbraw/zinc/07/63/66/683076366.db2.gz PRQXDENXIYZEMU-SFHVURJKSA-N 1 3 347.503 2.310 20 10 EECDHO COc1cc(C)cc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1O ZINC000894770525 683076370 /nfs/dbraw/zinc/07/63/70/683076370.db2.gz PRQXDENXIYZEMU-SFHVURJKSA-N 1 3 347.503 2.310 20 10 EECDHO CCN(C)c1ccc([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000127999768 693098787 /nfs/dbraw/zinc/09/87/87/693098787.db2.gz ZXAYANKZORSOEC-WMZOPIPTSA-N 1 3 346.519 2.381 20 10 EECDHO CCN(C)c1ccc([C@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000127999768 693098792 /nfs/dbraw/zinc/09/87/92/693098792.db2.gz ZXAYANKZORSOEC-WMZOPIPTSA-N 1 3 346.519 2.381 20 10 EECDHO Cc1ccc(O)c(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1 ZINC001275311610 1205305596 /nfs/dbraw/zinc/30/55/96/1205305596.db2.gz GGNFKCBAAGLKAL-UHFFFAOYSA-N 1 3 340.471 2.495 20 10 EECDHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC001277441464 1303030249 /nfs/dbraw/zinc/03/02/49/1303030249.db2.gz LIFHHBNSNVNTTJ-YLJYHZDGSA-N 1 3 345.487 2.014 20 10 EECDHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC001277441464 1303030253 /nfs/dbraw/zinc/03/02/53/1303030253.db2.gz LIFHHBNSNVNTTJ-YLJYHZDGSA-N 1 3 345.487 2.014 20 10 EECDHO CN1CCN(c2ccc(CN(C3CC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238858 1305541568 /nfs/dbraw/zinc/54/15/68/1305541568.db2.gz HMJHIVGKORAOQB-FQEVSTJZSA-N 1 3 328.504 2.155 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC001122414431 1310277867 /nfs/dbraw/zinc/27/78/67/1310277867.db2.gz QMLSXDQWAWKDDO-STRNNXBNSA-N 1 3 344.503 2.027 20 10 EECDHO [NH3+][C@H](c1ccccc1[O-])[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC001246342447 1310284566 /nfs/dbraw/zinc/28/45/66/1310284566.db2.gz OQMDIEQFCRYZHM-UPRAQXHNSA-N 1 3 327.428 2.181 20 10 EECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H](N)CCCC[NH3+] ZINC001157434210 1318638131 /nfs/dbraw/zinc/63/81/31/1318638131.db2.gz NIXMUEIHPRRJJG-YOEHRIQHSA-N 1 3 333.476 2.205 20 10 EECDHO CC[C@H](C(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1)N(C)C ZINC000996711614 787229841 /nfs/dbraw/zinc/22/98/41/787229841.db2.gz JWRIOWHRPLUQRO-GOSISDBHSA-N 1 3 347.503 2.424 20 10 EECDHO CCN(C)c1ccc([C@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765800359 577507469 /nfs/dbraw/zinc/50/74/69/577507469.db2.gz ZXAYANKZORSOEC-FUHWJXTLSA-N 1 3 346.519 2.381 20 10 EECDHO CCN(C)c1ccc([C@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765800359 577507470 /nfs/dbraw/zinc/50/74/70/577507470.db2.gz ZXAYANKZORSOEC-FUHWJXTLSA-N 1 3 346.519 2.381 20 10 EECDHO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000246897431 1213394187 /nfs/dbraw/zinc/39/41/87/1213394187.db2.gz HKSWJDFYYLLZMY-MAUKXSAKSA-N 1 3 335.467 2.482 20 10 EECDHO Cc1c[nH+]ccc1N1CCN(Cc2ccc(N(C)C)cc2O)CC1 ZINC001232841598 1304267758 /nfs/dbraw/zinc/26/77/58/1304267758.db2.gz LDRFORYBKUPTAA-UHFFFAOYSA-N 1 3 326.444 2.484 20 10 EECDHO CCOc1ccc(C[N@H+](CCCN(C)C)CCC(=O)OC)c(O)c1 ZINC001237042428 1305775118 /nfs/dbraw/zinc/77/51/18/1305775118.db2.gz VHVUNFBUVAHJEZ-UHFFFAOYSA-N 1 3 338.448 2.108 20 10 EECDHO CCOc1ccc(C[N@@H+](CCCN(C)C)CCC(=O)OC)c(O)c1 ZINC001237042428 1305775126 /nfs/dbraw/zinc/77/51/26/1305775126.db2.gz VHVUNFBUVAHJEZ-UHFFFAOYSA-N 1 3 338.448 2.108 20 10 EECDHO COc1cc(CN2CC[C@H]3OCCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253331 1314721603 /nfs/dbraw/zinc/72/16/03/1314721603.db2.gz RBVOCWXWZCMXDH-NVXWUHKLSA-N 1 3 334.460 2.463 20 10 EECDHO CCN(CC)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841003977 1315452728 /nfs/dbraw/zinc/45/27/28/1315452728.db2.gz JKLSTNSKPHFWHL-SFHVURJKSA-N 1 3 346.519 2.162 20 10 EECDHO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841003977 1315452731 /nfs/dbraw/zinc/45/27/31/1315452731.db2.gz JKLSTNSKPHFWHL-SFHVURJKSA-N 1 3 346.519 2.162 20 10 EECDHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]21 ZINC000843060243 1315832267 /nfs/dbraw/zinc/83/22/67/1315832267.db2.gz YYHMFBWVUUSZQV-XYJFISCASA-N 1 3 333.451 2.222 20 10 EECDHO O[C@H]1CCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921861583 797698722 /nfs/dbraw/zinc/69/87/22/797698722.db2.gz XQFXLWKSAOMPRT-MOPGFXCFSA-N 1 3 330.472 2.479 20 10 EECDHO CN(C)CC[NH+]1CCC(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113336112 237165868 /nfs/dbraw/zinc/16/58/68/237165868.db2.gz XPIKEYAHBJOKFY-UHFFFAOYSA-N 1 3 325.884 2.409 20 10 EECDHO C[NH+](C)CCN1CCC(C[NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113336112 237165873 /nfs/dbraw/zinc/16/58/73/237165873.db2.gz XPIKEYAHBJOKFY-UHFFFAOYSA-N 1 3 325.884 2.409 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN(C)C3CCC3)C2)cc1C ZINC000968921974 1221673763 /nfs/dbraw/zinc/67/37/63/1221673763.db2.gz PPIXGUOKFKEAJI-QGZVFWFLSA-N 1 3 345.487 2.178 20 10 EECDHO CCN1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC001140304107 1314862737 /nfs/dbraw/zinc/86/27/37/1314862737.db2.gz IJRLFNVJCVGXKI-OAQYLSRUSA-N 1 3 342.531 2.499 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)cc2)CC1 ZINC001140306766 1314862913 /nfs/dbraw/zinc/86/29/13/1314862913.db2.gz XAKRHGVGOAAGKM-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)cc2)CC1 ZINC001140306766 1314862918 /nfs/dbraw/zinc/86/29/18/1314862918.db2.gz XAKRHGVGOAAGKM-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]21 ZINC000843060241 1315832758 /nfs/dbraw/zinc/83/27/58/1315832758.db2.gz YYHMFBWVUUSZQV-LZLYRXPVSA-N 1 3 333.451 2.222 20 10 EECDHO C[NH+](C)CCN1CCN(Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143112136 1315865721 /nfs/dbraw/zinc/86/57/21/1315865721.db2.gz MEXULNZNEDJVLK-UHFFFAOYSA-N 1 3 347.503 2.286 20 10 EECDHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210216875 1325202052 /nfs/dbraw/zinc/20/20/52/1325202052.db2.gz AULFRYMISHFQQZ-SFHVURJKSA-N 1 3 347.503 2.426 20 10 EECDHO C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852281 1334726998 /nfs/dbraw/zinc/72/69/98/1334726998.db2.gz YLJSKHCLALJORW-QFBILLFUSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852281 1334727001 /nfs/dbraw/zinc/72/70/01/1334727001.db2.gz YLJSKHCLALJORW-QFBILLFUSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852281 1334727004 /nfs/dbraw/zinc/72/70/04/1334727004.db2.gz YLJSKHCLALJORW-QFBILLFUSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852281 1334727007 /nfs/dbraw/zinc/72/70/07/1334727007.db2.gz YLJSKHCLALJORW-QFBILLFUSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@@H]1C[C@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834171 1337582092 /nfs/dbraw/zinc/58/20/92/1337582092.db2.gz KQNQZLURFBYSSZ-RYRKJORJSA-N 1 3 348.510 2.383 20 10 EECDHO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000173362442 791847485 /nfs/dbraw/zinc/84/74/85/791847485.db2.gz HKSWJDFYYLLZMY-CRAIPNDOSA-N 1 3 335.467 2.482 20 10 EECDHO C[NH+](C)CC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768304189 577553508 /nfs/dbraw/zinc/55/35/08/577553508.db2.gz YJSJEDURPYFYSM-UHFFFAOYSA-N 1 3 335.467 2.436 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1C ZINC000989798830 692331081 /nfs/dbraw/zinc/33/10/81/692331081.db2.gz GLJKYIJQPQODCL-SJLPKXTDSA-N 1 3 345.487 2.178 20 10 EECDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876989107 1199837854 /nfs/dbraw/zinc/83/78/54/1199837854.db2.gz UYCJIBRTMWIHJQ-SFHVURJKSA-N 1 3 331.504 2.469 20 10 EECDHO CCN(Cc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008046 1305474445 /nfs/dbraw/zinc/47/44/45/1305474445.db2.gz PUSPNHBJEXIKBI-FQEVSTJZSA-N 1 3 330.520 2.402 20 10 EECDHO CCOC(=O)[C@H]1C[N@H+](Cc2ccc(C(C)C)cc2[O-])CCC12C[NH2+]C2 ZINC001237429178 1305928367 /nfs/dbraw/zinc/92/83/67/1305928367.db2.gz DPXZWCPARXTPMQ-QGZVFWFLSA-N 1 3 346.471 2.490 20 10 EECDHO CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2[O-])CCC12C[NH2+]C2 ZINC001237429178 1305928370 /nfs/dbraw/zinc/92/83/70/1305928370.db2.gz DPXZWCPARXTPMQ-QGZVFWFLSA-N 1 3 346.471 2.490 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+](CC)CCC(=O)OC)cc2)CC1 ZINC001140309653 1314865337 /nfs/dbraw/zinc/86/53/37/1314865337.db2.gz PCCGQDJLCKYTBD-UHFFFAOYSA-N 1 3 333.476 2.214 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+](CC)CCC(=O)OC)cc2)CC1 ZINC001140309653 1314865341 /nfs/dbraw/zinc/86/53/41/1314865341.db2.gz PCCGQDJLCKYTBD-UHFFFAOYSA-N 1 3 333.476 2.214 20 10 EECDHO CC[N@H+]1C[C@H]2CN(Cc3cc4c5c(c3O)CCCN5CCC4)C[C@H]2C1 ZINC001138341130 1372384698 /nfs/dbraw/zinc/38/46/98/1372384698.db2.gz IFDZQNMUWZPGMZ-HDICACEKSA-N 1 3 341.499 2.475 20 10 EECDHO CC[N@@H+]1C[C@H]2CN(Cc3cc4c5c(c3O)CCCN5CCC4)C[C@H]2C1 ZINC001138341130 1372384703 /nfs/dbraw/zinc/38/47/03/1372384703.db2.gz IFDZQNMUWZPGMZ-HDICACEKSA-N 1 3 341.499 2.475 20 10 EECDHO C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Br)ccc1[O-] ZINC000809741381 783349637 /nfs/dbraw/zinc/34/96/37/783349637.db2.gz OAEJKXVGNCDKGR-UHFFFAOYSA-N 1 3 344.297 2.080 20 10 EECDHO CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2Cc1ccccc1O ZINC001277440826 1303026848 /nfs/dbraw/zinc/02/68/48/1303026848.db2.gz FUXSSMIQVBZOQD-FXAWDEMLSA-N 1 3 345.487 2.157 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CCOC4)C3)cc2)CC1 ZINC001140301991 1314860098 /nfs/dbraw/zinc/86/00/98/1314860098.db2.gz GXVMTSCIFQAWQB-HXUWFJFHSA-N 1 3 329.488 2.441 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@]4(CCOC4)C3)cc2)CC1 ZINC001140301991 1314860103 /nfs/dbraw/zinc/86/01/03/1314860103.db2.gz GXVMTSCIFQAWQB-HXUWFJFHSA-N 1 3 329.488 2.441 20 10 EECDHO CC[NH2+]CC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843055359 1315830999 /nfs/dbraw/zinc/83/09/99/1315830999.db2.gz IAPVZHASTASOHC-UHFFFAOYSA-N 1 3 335.467 2.484 20 10 EECDHO COc1ccc(N2CCN(CCN[C@@H]3CCCCC[C@H]3[NH3+])CC2)cc1 ZINC000817892795 785048345 /nfs/dbraw/zinc/04/83/45/785048345.db2.gz CLAWXIOCVBDGFN-WOJBJXKFSA-N 1 3 346.519 2.067 20 10 EECDHO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N2CCCc3ccc(CN)nc32)n1 ZINC001169584533 803889681 /nfs/dbraw/zinc/88/96/81/803889681.db2.gz TUPNTPZFNGTIBZ-OAHLLOKOSA-N 1 3 338.459 2.190 20 10 EECDHO CC(C)[C@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCN(C)CC1 ZINC000113319833 1195204974 /nfs/dbraw/zinc/20/49/74/1195204974.db2.gz FMYZIWJZABTVLK-INIZCTEOSA-N 1 3 325.884 2.407 20 10 EECDHO COCC[NH+](CCOC)C1CCN(Cc2c(C)cccc2O)CC1 ZINC000877519545 1199954589 /nfs/dbraw/zinc/95/45/89/1199954589.db2.gz LDQPBWNHNFTJGP-UHFFFAOYSA-N 1 3 336.476 2.260 20 10 EECDHO COc1ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c([O-])c1 ZINC001275276446 1205295687 /nfs/dbraw/zinc/29/56/87/1205295687.db2.gz ZGVAAPGIOWCEQG-HXUWFJFHSA-N 1 3 347.503 2.250 20 10 EECDHO COc1ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c([O-])c1 ZINC001275276446 1205295689 /nfs/dbraw/zinc/29/56/89/1205295689.db2.gz ZGVAAPGIOWCEQG-HXUWFJFHSA-N 1 3 347.503 2.250 20 10 EECDHO CCOC(=O)[C@@]12C[N@H+](Cc3ccc(CC)cc3[O-])C[C@@H]1CC[NH2+]CC2 ZINC001235353324 1305203183 /nfs/dbraw/zinc/20/31/83/1305203183.db2.gz YIZRFNCSQODXCV-PXNSSMCTSA-N 1 3 346.471 2.319 20 10 EECDHO CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(CC)cc3[O-])C[C@@H]1CC[NH2+]CC2 ZINC001235353324 1305203188 /nfs/dbraw/zinc/20/31/88/1305203188.db2.gz YIZRFNCSQODXCV-PXNSSMCTSA-N 1 3 346.471 2.319 20 10 EECDHO CCN1CCN(c2ccc(CN3CCC([NH+]4CCC4)CC3)cc2)CC1 ZINC001140309383 1314865117 /nfs/dbraw/zinc/86/51/17/1314865117.db2.gz DNYCGTHSPDYIIP-UHFFFAOYSA-N 1 3 342.531 2.499 20 10 EECDHO C[NH+]1CC2(C1)CCN(Cc1ccc(N3CCOCC3)cc1F)CC2 ZINC001140664352 1314925273 /nfs/dbraw/zinc/92/52/73/1314925273.db2.gz GOLLVNRVSQMRHV-UHFFFAOYSA-N 1 3 333.451 2.190 20 10 EECDHO Cn1cc([C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2N)cn1 ZINC000818431983 785253135 /nfs/dbraw/zinc/25/31/35/785253135.db2.gz ZJXGCKKOKUDMNY-VQTJNVASSA-N 1 3 339.487 2.337 20 10 EECDHO Cn1cc([C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)C[C@H]2N)cn1 ZINC000818431983 785253140 /nfs/dbraw/zinc/25/31/40/785253140.db2.gz ZJXGCKKOKUDMNY-VQTJNVASSA-N 1 3 339.487 2.337 20 10 EECDHO CN1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823465 577232802 /nfs/dbraw/zinc/23/28/02/577232802.db2.gz CWARXCJOVSBXBV-QUCCMNQESA-N 1 3 328.504 2.155 20 10 EECDHO CN1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823465 577232804 /nfs/dbraw/zinc/23/28/04/577232804.db2.gz CWARXCJOVSBXBV-QUCCMNQESA-N 1 3 328.504 2.155 20 10 EECDHO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771832669 577233298 /nfs/dbraw/zinc/23/32/98/577233298.db2.gz NPEDDHMRRYQLLE-QGZVFWFLSA-N 1 3 341.503 2.369 20 10 EECDHO CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C ZINC000775711908 577443460 /nfs/dbraw/zinc/44/34/60/577443460.db2.gz KBVLHNOTXOUWRS-ROUUACIJSA-N 1 3 330.520 2.353 20 10 EECDHO CC[N@H+]1C[C@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C ZINC000775711908 577443461 /nfs/dbraw/zinc/44/34/61/577443461.db2.gz KBVLHNOTXOUWRS-ROUUACIJSA-N 1 3 330.520 2.353 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@H](N4CC([NH3+])C4)C3)ccc2O1 ZINC001236077974 1305494738 /nfs/dbraw/zinc/49/47/38/1305494738.db2.gz BMPZKNYCCCHKRC-INIZCTEOSA-N 1 3 343.471 2.184 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@H](N4CC([NH3+])C4)C3)ccc2O1 ZINC001236077974 1305494743 /nfs/dbraw/zinc/49/47/43/1305494743.db2.gz BMPZKNYCCCHKRC-INIZCTEOSA-N 1 3 343.471 2.184 20 10 EECDHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203010383 1314829192 /nfs/dbraw/zinc/82/91/92/1314829192.db2.gz LNSZMWURHDAQLW-UHFFFAOYSA-N 1 3 347.503 2.426 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CCO)C3)cc2)CC1 ZINC001140304060 1314862419 /nfs/dbraw/zinc/86/24/19/1314862419.db2.gz GSXNTTLAYIRDHR-SFHVURJKSA-N 1 3 331.504 2.423 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCO)C3)cc2)CC1 ZINC001140304060 1314862426 /nfs/dbraw/zinc/86/24/26/1314862426.db2.gz GSXNTTLAYIRDHR-SFHVURJKSA-N 1 3 331.504 2.423 20 10 EECDHO CCN1CCN(c2ccc(CN(C)CC[NH+]3CCCC3)cc2)CC1 ZINC001140306239 1314863448 /nfs/dbraw/zinc/86/34/48/1314863448.db2.gz QDLRSBCIRDMCDO-UHFFFAOYSA-N 1 3 330.520 2.356 20 10 EECDHO CN1CCN(c2ccc(CN[C@@H](C[NH3+])C3CCCC3)cc2F)CC1 ZINC001325321776 1333863266 /nfs/dbraw/zinc/86/32/66/1333863266.db2.gz ZOEQHKBTIQFVJG-SFHVURJKSA-N 1 3 334.483 2.185 20 10 EECDHO CN1CCN(c2ccc(C[NH2+][C@@H](CN)C3CCCC3)cc2F)CC1 ZINC001325321776 1333863270 /nfs/dbraw/zinc/86/32/70/1333863270.db2.gz ZOEQHKBTIQFVJG-SFHVURJKSA-N 1 3 334.483 2.185 20 10 EECDHO COc1ccc(O)c(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000377622026 467098699 /nfs/dbraw/zinc/09/86/99/467098699.db2.gz GROPTZPSDQFMGY-KRWDZBQOSA-N 1 3 333.476 2.001 20 10 EECDHO COc1ccc(O)c(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000377622026 467098701 /nfs/dbraw/zinc/09/87/01/467098701.db2.gz GROPTZPSDQFMGY-KRWDZBQOSA-N 1 3 333.476 2.001 20 10 EECDHO CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000876598002 1199685631 /nfs/dbraw/zinc/68/56/31/1199685631.db2.gz SUAURVQLCHXERC-GOSISDBHSA-N 1 3 331.504 2.421 20 10 EECDHO CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876598002 1199685636 /nfs/dbraw/zinc/68/56/36/1199685636.db2.gz SUAURVQLCHXERC-GOSISDBHSA-N 1 3 331.504 2.421 20 10 EECDHO Oc1ccc(O)c(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)c1 ZINC001275419215 1205351836 /nfs/dbraw/zinc/35/18/36/1205351836.db2.gz SPUKOJZYLKSJPY-UHFFFAOYSA-N 1 3 342.443 2.309 20 10 EECDHO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441585 1303029969 /nfs/dbraw/zinc/02/99/69/1303029969.db2.gz OMDHTWJNCQDMAY-QGZVFWFLSA-N 1 3 345.487 2.014 20 10 EECDHO CCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC001328522029 1334473724 /nfs/dbraw/zinc/47/37/24/1334473724.db2.gz IZTRRPCIXUXNHE-GOSISDBHSA-N 1 3 348.510 2.494 20 10 EECDHO CCCN(Cc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CC[N@@H+](C)C1 ZINC001328522029 1334473728 /nfs/dbraw/zinc/47/37/28/1334473728.db2.gz IZTRRPCIXUXNHE-GOSISDBHSA-N 1 3 348.510 2.494 20 10 EECDHO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809723916 783337162 /nfs/dbraw/zinc/33/71/62/783337162.db2.gz BEZRQCGDLDLHDW-NQIIRXRSSA-N 1 3 342.531 2.497 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001020586475 675218076 /nfs/dbraw/zinc/21/80/76/675218076.db2.gz OVAPGRLCBTYWSR-KBAYOESNSA-N 1 3 345.487 2.225 20 10 EECDHO CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001275271430 1205295466 /nfs/dbraw/zinc/29/54/66/1205295466.db2.gz UZTZGZBMKTYYKY-CALCHBBNSA-N 1 3 333.476 2.001 20 10 EECDHO CCN(CC)c1ccc(CN2CCNC3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001222091320 1299341968 /nfs/dbraw/zinc/34/19/68/1299341968.db2.gz QIKRLMTUKJJZPZ-UHFFFAOYSA-N 1 3 346.519 2.069 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC001122413955 1310277799 /nfs/dbraw/zinc/27/77/99/1310277799.db2.gz GZULDLCYFBRHRL-QZTJIDSGSA-N 1 3 332.492 2.004 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302499 1314861373 /nfs/dbraw/zinc/86/13/73/1314861373.db2.gz SJSIJYIYIXGQLI-PXNSSMCTSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302499 1314861377 /nfs/dbraw/zinc/86/13/77/1314861377.db2.gz SJSIJYIYIXGQLI-PXNSSMCTSA-N 1 3 331.504 2.421 20 10 EECDHO C[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@@H+]1C ZINC001318723868 1332583200 /nfs/dbraw/zinc/58/32/00/1332583200.db2.gz FKAUPDXRZVGROR-NVXWUHKLSA-N 1 3 334.483 2.150 20 10 EECDHO C[C@@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@H+]1C ZINC001318723868 1332583203 /nfs/dbraw/zinc/58/32/03/1332583203.db2.gz FKAUPDXRZVGROR-NVXWUHKLSA-N 1 3 334.483 2.150 20 10 EECDHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001318723868 1332583204 /nfs/dbraw/zinc/58/32/04/1332583204.db2.gz FKAUPDXRZVGROR-NVXWUHKLSA-N 1 3 334.483 2.150 20 10 EECDHO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809765211 783370588 /nfs/dbraw/zinc/37/05/88/783370588.db2.gz LJXZUUGRXCLWBL-YLJYHZDGSA-N 1 3 330.520 2.210 20 10 EECDHO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809765211 783370596 /nfs/dbraw/zinc/37/05/96/783370596.db2.gz LJXZUUGRXCLWBL-YLJYHZDGSA-N 1 3 330.520 2.210 20 10 EECDHO c1nc(CNCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c[nH]1 ZINC000894359008 682628193 /nfs/dbraw/zinc/62/81/93/682628193.db2.gz LWAVZWVPVMQQMN-UHFFFAOYSA-N 1 3 325.460 2.232 20 10 EECDHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001027070089 686116790 /nfs/dbraw/zinc/11/67/90/686116790.db2.gz JAXLHRKZNKKIJG-MSOLQXFVSA-N 1 3 347.503 2.282 20 10 EECDHO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c1[O-] ZINC000904406725 694385531 /nfs/dbraw/zinc/38/55/31/694385531.db2.gz UZPWMQZNDPVOFR-SNVBAGLBSA-N 1 3 329.238 2.334 20 10 EECDHO COc1cc(Br)cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)c1[O-] ZINC000904406725 694385533 /nfs/dbraw/zinc/38/55/33/694385533.db2.gz UZPWMQZNDPVOFR-SNVBAGLBSA-N 1 3 329.238 2.334 20 10 EECDHO CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000876598003 1199686329 /nfs/dbraw/zinc/68/63/29/1199686329.db2.gz SUAURVQLCHXERC-SFHVURJKSA-N 1 3 331.504 2.421 20 10 EECDHO CN(Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000876598003 1199686335 /nfs/dbraw/zinc/68/63/35/1199686335.db2.gz SUAURVQLCHXERC-SFHVURJKSA-N 1 3 331.504 2.421 20 10 EECDHO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C)cc1C ZINC001044959921 1233404913 /nfs/dbraw/zinc/40/49/13/1233404913.db2.gz PPCCDVIEUFFUDS-ROUUACIJSA-N 1 3 345.487 2.178 20 10 EECDHO CCCC[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001262585279 1322328361 /nfs/dbraw/zinc/32/83/61/1322328361.db2.gz YJFFRDIBILNXBD-SJLPKXTDSA-N 1 3 349.523 2.172 20 10 EECDHO CC[NH+]1C[C@H]2CN(Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341133 1372385729 /nfs/dbraw/zinc/38/57/29/1372385729.db2.gz IFDZQNMUWZPGMZ-ROUUACIJSA-N 1 3 341.499 2.475 20 10 EECDHO [NH3+]C[C@@H]1CCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935365 785080014 /nfs/dbraw/zinc/08/00/14/785080014.db2.gz NNZZDTRMYWQHOZ-BBRMVZONSA-N 1 3 325.403 2.018 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C3(N(C)C)CCC3)C2)cc1C ZINC000968907878 1221660924 /nfs/dbraw/zinc/66/09/24/1221660924.db2.gz XIJSFOWLUJQQFK-QGZVFWFLSA-N 1 3 345.487 2.178 20 10 EECDHO CN1CCN(c2ccc(CN3CCC([N@H+](C)C4CC4)CC3)cc2)CC1 ZINC001139410722 1314740931 /nfs/dbraw/zinc/74/09/31/1314740931.db2.gz AQPCLYFYJYXWSW-UHFFFAOYSA-N 1 3 342.531 2.497 20 10 EECDHO CN1CCN(c2ccc(CN3CCC([N@@H+](C)C4CC4)CC3)cc2)CC1 ZINC001139410722 1314740933 /nfs/dbraw/zinc/74/09/33/1314740933.db2.gz AQPCLYFYJYXWSW-UHFFFAOYSA-N 1 3 342.531 2.497 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)[C@H]3CO)cc2)CC1 ZINC001140302662 1314861291 /nfs/dbraw/zinc/86/12/91/1314861291.db2.gz WZMDFGDSXHTAEN-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3CO)cc2)CC1 ZINC001140302662 1314861296 /nfs/dbraw/zinc/86/12/96/1314861296.db2.gz WZMDFGDSXHTAEN-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO CN1CCN(c2ccc(CN3CCC([NH2+]CC4CC4)CC3)cc2)CC1 ZINC000843054581 1315830502 /nfs/dbraw/zinc/83/05/02/1315830502.db2.gz UVSMPPHBNZFDBW-UHFFFAOYSA-N 1 3 342.531 2.402 20 10 EECDHO C[NH+]1CCN(c2ccc(CN[C@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000771845863 577233979 /nfs/dbraw/zinc/23/39/79/577233979.db2.gz JIKKYGOFUBWEEP-SFHVURJKSA-N 1 3 325.460 2.329 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)CCCC[NH+](C)C)N(C)C)cc1 ZINC000891253414 676249497 /nfs/dbraw/zinc/24/94/97/676249497.db2.gz SILJRADMKGWLCJ-SFHVURJKSA-N 1 3 334.508 2.203 20 10 EECDHO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883289324 1202041319 /nfs/dbraw/zinc/04/13/19/1202041319.db2.gz KYDWDBBWCWUMRP-UZLBHIALSA-N 1 3 328.504 2.011 20 10 EECDHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C)N(C)C ZINC001074709797 1298267227 /nfs/dbraw/zinc/26/72/27/1298267227.db2.gz QUTOMOXSDVPOPP-RYQLBKOJSA-N 1 3 347.503 2.423 20 10 EECDHO CN1CCN(c2ccc(CNC[C@@H]3CCCC[N@H+](C)C3)cc2F)CC1 ZINC001118803870 1308944054 /nfs/dbraw/zinc/94/40/54/1308944054.db2.gz QKSPSTRCRNIQOF-SFHVURJKSA-N 1 3 348.510 2.399 20 10 EECDHO CN1CCN(c2ccc(CNC[C@@H]3CCCC[N@@H+](C)C3)cc2F)CC1 ZINC001118803870 1308944059 /nfs/dbraw/zinc/94/40/59/1308944059.db2.gz QKSPSTRCRNIQOF-SFHVURJKSA-N 1 3 348.510 2.399 20 10 EECDHO C[NH+]1CCC2(CN(Cc3ccc(N4CCC(O)CC4)cc3)C2)CC1 ZINC001140288566 1314854509 /nfs/dbraw/zinc/85/45/09/1314854509.db2.gz WKCANOVUSKEEFO-UHFFFAOYSA-N 1 3 329.488 2.175 20 10 EECDHO COCCOc1ccc(N2CC[NH+](C[C@H]3CCCN(C)C3)CC2)cc1 ZINC001208615550 1324594630 /nfs/dbraw/zinc/59/46/30/1324594630.db2.gz HURXCIHUIOCLBD-SFHVURJKSA-N 1 3 347.503 2.176 20 10 EECDHO CN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000373247875 466742007 /nfs/dbraw/zinc/74/20/07/466742007.db2.gz UGSDTKXOTKVDNH-HXUWFJFHSA-N 1 3 330.520 2.353 20 10 EECDHO CN(C)c1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000373247875 466742009 /nfs/dbraw/zinc/74/20/09/466742009.db2.gz UGSDTKXOTKVDNH-HXUWFJFHSA-N 1 3 330.520 2.353 20 10 EECDHO CCN(C)c1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765800360 577507460 /nfs/dbraw/zinc/50/74/60/577507460.db2.gz ZXAYANKZORSOEC-SJLPKXTDSA-N 1 3 346.519 2.381 20 10 EECDHO CCN(C)c1ccc([C@@H](C)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765800360 577507461 /nfs/dbraw/zinc/50/74/61/577507461.db2.gz ZXAYANKZORSOEC-SJLPKXTDSA-N 1 3 346.519 2.381 20 10 EECDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255988 676252071 /nfs/dbraw/zinc/25/20/71/676252071.db2.gz UPZKILPYJMPZHP-RBUKOAKNSA-N 1 3 346.519 2.346 20 10 EECDHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255988 676252072 /nfs/dbraw/zinc/25/20/72/676252072.db2.gz UPZKILPYJMPZHP-RBUKOAKNSA-N 1 3 346.519 2.346 20 10 EECDHO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883289323 1202041421 /nfs/dbraw/zinc/04/14/21/1202041421.db2.gz KYDWDBBWCWUMRP-OXQOHEQNSA-N 1 3 328.504 2.011 20 10 EECDHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000246897445 1213394396 /nfs/dbraw/zinc/39/43/96/1213394396.db2.gz HKSWJDFYYLLZMY-YJBOKZPZSA-N 1 3 335.467 2.482 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC001122414433 1310277825 /nfs/dbraw/zinc/27/78/25/1310277825.db2.gz QMLSXDQWAWKDDO-XPVRDDHDSA-N 1 3 344.503 2.027 20 10 EECDHO Oc1ccccc1CN1CCC([NH2+][C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254842970 1318202637 /nfs/dbraw/zinc/20/26/37/1318202637.db2.gz CUANNDMOFZGVHQ-LJQANCHMSA-N 1 3 329.488 2.431 20 10 EECDHO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC001319696153 1332744497 /nfs/dbraw/zinc/74/44/97/1332744497.db2.gz ZSHHLPVPIBZUPP-SFHVURJKSA-N 1 3 348.510 2.351 20 10 EECDHO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC001319696153 1332744504 /nfs/dbraw/zinc/74/45/04/1332744504.db2.gz ZSHHLPVPIBZUPP-SFHVURJKSA-N 1 3 348.510 2.351 20 10 EECDHO CN1CCN(c2ccc(C[N@H+](C)C[C@H]3CCCN(C)C3)cc2F)CC1 ZINC001319696153 1332744506 /nfs/dbraw/zinc/74/45/06/1332744506.db2.gz ZSHHLPVPIBZUPP-SFHVURJKSA-N 1 3 348.510 2.351 20 10 EECDHO CN1CCN(c2ccc(C[N@@H+](C)C[C@H]3CCCN(C)C3)cc2F)CC1 ZINC001319696153 1332744509 /nfs/dbraw/zinc/74/45/09/1332744509.db2.gz ZSHHLPVPIBZUPP-SFHVURJKSA-N 1 3 348.510 2.351 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1C ZINC001755693584 1407739450 /nfs/dbraw/zinc/73/94/50/1407739450.db2.gz QOEALVGHJZIWDB-AEFFLSMTSA-N 1 3 347.503 2.423 20 10 EECDHO CN1CCN(c2ccc(CN3CC[NH+](C4CCC4)CC3)cc2)CC1 ZINC000775702426 577443206 /nfs/dbraw/zinc/44/32/06/577443206.db2.gz VVUQGXOMUZCXEC-UHFFFAOYSA-N 1 3 328.504 2.109 20 10 EECDHO COc1ccc(O)c(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702560784 1196014591 /nfs/dbraw/zinc/01/45/91/1196014591.db2.gz FCYWXMZSAZZTCF-HXUWFJFHSA-N 1 3 342.439 2.127 20 10 EECDHO COc1ccc(O)c(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702560784 1196014594 /nfs/dbraw/zinc/01/45/94/1196014594.db2.gz FCYWXMZSAZZTCF-HXUWFJFHSA-N 1 3 342.439 2.127 20 10 EECDHO Cc1ccc(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)c(O)c1 ZINC001276168085 1205811176 /nfs/dbraw/zinc/81/11/76/1205811176.db2.gz AFARULSZJBPMSD-UHFFFAOYSA-N 1 3 345.487 2.077 20 10 EECDHO CN(C)CC[N@H+](C)CCCNCc1cc(F)c(N(C)C)cc1F ZINC000858196721 1294041939 /nfs/dbraw/zinc/04/19/39/1294041939.db2.gz XTEGKFWRWBWDPZ-UHFFFAOYSA-N 1 3 328.451 2.004 20 10 EECDHO CN(C)CC[N@@H+](C)CCCNCc1cc(F)c(N(C)C)cc1F ZINC000858196721 1294041943 /nfs/dbraw/zinc/04/19/43/1294041943.db2.gz XTEGKFWRWBWDPZ-UHFFFAOYSA-N 1 3 328.451 2.004 20 10 EECDHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216511161 1297196842 /nfs/dbraw/zinc/19/68/42/1297196842.db2.gz KSPCMHDLOAJFNW-SJLPKXTDSA-N 1 3 347.503 2.282 20 10 EECDHO CC[NH+](CC)CCN(C)C(=O)[C@@H]1CC12CN(Cc1ccccc1O)C2 ZINC001277441583 1303030284 /nfs/dbraw/zinc/03/02/84/1303030284.db2.gz OMDHTWJNCQDMAY-KRWDZBQOSA-N 1 3 345.487 2.014 20 10 EECDHO COCC1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC[NH2+]CC1 ZINC000841067786 1315466842 /nfs/dbraw/zinc/46/68/42/1315466842.db2.gz DOUPOCXXXQIEEG-UHFFFAOYSA-N 1 3 328.840 2.160 20 10 EECDHO Fc1cc(CN2CCC([C@H]3CC[NH2+]C3)CC2)ccc1N1CCOCC1 ZINC000843126988 1315849000 /nfs/dbraw/zinc/84/90/00/1315849000.db2.gz NPWMYRCKNNXHNA-SFHVURJKSA-N 1 3 347.478 2.484 20 10 EECDHO CN1CCN(c2ccc(CNC[C@]3(C)CCC[NH2+]C3)cc2F)CC1 ZINC001261370489 1322083175 /nfs/dbraw/zinc/08/31/75/1322083175.db2.gz LBMBTMSQZJZXCT-LJQANCHMSA-N 1 3 334.483 2.057 20 10 EECDHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001176992562 798684264 /nfs/dbraw/zinc/68/42/64/798684264.db2.gz UFLNOULJSNGPDI-GOSISDBHSA-N 1 3 347.503 2.474 20 10 EECDHO C[NH+]1CCN(c2ccc(CN[C@@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000771845861 577234093 /nfs/dbraw/zinc/23/40/93/577234093.db2.gz JIKKYGOFUBWEEP-GOSISDBHSA-N 1 3 325.460 2.329 20 10 EECDHO COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1C ZINC001026733920 684925337 /nfs/dbraw/zinc/92/53/37/684925337.db2.gz JUTRKJHUSWNCGD-QZTJIDSGSA-N 1 3 345.487 2.036 20 10 EECDHO CCC[N@@H+]1CC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876964241 1199831798 /nfs/dbraw/zinc/83/17/98/1199831798.db2.gz VYBCPYFJOVGFFG-SFHVURJKSA-N 1 3 331.504 2.469 20 10 EECDHO CCC[N@H+]1CC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876964241 1199831802 /nfs/dbraw/zinc/83/18/02/1199831802.db2.gz VYBCPYFJOVGFFG-SFHVURJKSA-N 1 3 331.504 2.469 20 10 EECDHO COc1ccc(N2CCN(CC[C@@H]3CCC[NH2+]C3)CC2)c(OC)c1 ZINC000866697151 1201582649 /nfs/dbraw/zinc/58/26/49/1201582649.db2.gz HPDQMNZJJSNOQV-INIZCTEOSA-N 1 3 333.476 2.216 20 10 EECDHO CN1CCN(c2ccc(CN3CC4(C3)CC[NH+](C)CC4)c(F)c2)CC1 ZINC001236941947 1305739632 /nfs/dbraw/zinc/73/96/32/1305739632.db2.gz HTMCHBVVALNTEW-UHFFFAOYSA-N 1 3 346.494 2.105 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H](O)[C@@H](F)CC3)cc2)CC1 ZINC001140302172 1314860366 /nfs/dbraw/zinc/86/03/66/1314860366.db2.gz LRDJMMKRZYUVEF-OALUTQOASA-N 1 3 335.467 2.123 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H](O)[C@@H](F)CC3)cc2)CC1 ZINC001140302172 1314860373 /nfs/dbraw/zinc/86/03/73/1314860373.db2.gz LRDJMMKRZYUVEF-OALUTQOASA-N 1 3 335.467 2.123 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+](CCC(=O)OC)C3CC3)cc2)CC1 ZINC001140309920 1314864983 /nfs/dbraw/zinc/86/49/83/1314864983.db2.gz ZWKAFXHWXUQGOO-UHFFFAOYSA-N 1 3 345.487 2.356 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+](CCC(=O)OC)C3CC3)cc2)CC1 ZINC001140309920 1314864989 /nfs/dbraw/zinc/86/49/89/1314864989.db2.gz ZWKAFXHWXUQGOO-UHFFFAOYSA-N 1 3 345.487 2.356 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@](O)(C[NH3+])CC3)ccc2O1 ZINC001205256107 1322332976 /nfs/dbraw/zinc/33/29/76/1322332976.db2.gz NFXCRWPDKQMQFM-IBGZPJMESA-N 1 3 332.444 2.252 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)ccc2O1 ZINC001205256107 1322332983 /nfs/dbraw/zinc/33/29/83/1322332983.db2.gz NFXCRWPDKQMQFM-IBGZPJMESA-N 1 3 332.444 2.252 20 10 EECDHO CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263260078 1322448748 /nfs/dbraw/zinc/44/87/48/1322448748.db2.gz PYYUAVOKTWQNNI-ROUUACIJSA-N 1 3 334.508 2.235 20 10 EECDHO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809723918 783337061 /nfs/dbraw/zinc/33/70/61/783337061.db2.gz BEZRQCGDLDLHDW-RXVVDRJESA-N 1 3 342.531 2.497 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC000969956509 675343488 /nfs/dbraw/zinc/34/34/88/675343488.db2.gz XOJCFUBKSRPLBF-CRAIPNDOSA-N 1 3 345.487 2.036 20 10 EECDHO COc1ccc(N2CCN(CCC3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000866697706 1201582844 /nfs/dbraw/zinc/58/28/44/1201582844.db2.gz WEUVPKYVPJVTFW-UHFFFAOYSA-N 1 3 333.476 2.216 20 10 EECDHO CCN1CCN(c2ccc(CN3C[C@H]4CC[C@@H](C3)[NH2+]C4)cc2)CC1 ZINC001236060804 1305487981 /nfs/dbraw/zinc/48/79/81/1305487981.db2.gz IKYOQDYZCDPEIF-OALUTQOASA-N 1 3 328.504 2.012 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@@](C)(O)C3)cc2)CC1 ZINC001140302525 1314861532 /nfs/dbraw/zinc/86/15/32/1314861532.db2.gz SZPFUSGRXYUIGG-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@](C)(O)C3)cc2)CC1 ZINC001140302525 1314861539 /nfs/dbraw/zinc/86/15/39/1314861539.db2.gz SZPFUSGRXYUIGG-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO C[NH+](C)CC1CCN(Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001140661876 1314924314 /nfs/dbraw/zinc/92/43/14/1314924314.db2.gz WHXDBNKJCYTOIJ-UHFFFAOYSA-N 1 3 335.467 2.436 20 10 EECDHO NCc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)ncn1 ZINC001155630833 1317680824 /nfs/dbraw/zinc/68/08/24/1317680824.db2.gz ZZTIJPPTZYMPHZ-IXIUHKBRSA-N 1 3 339.487 2.335 20 10 EECDHO NCc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)ncn1 ZINC001155630833 1317680827 /nfs/dbraw/zinc/68/08/27/1317680827.db2.gz ZZTIJPPTZYMPHZ-IXIUHKBRSA-N 1 3 339.487 2.335 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000775742334 577444463 /nfs/dbraw/zinc/44/44/63/577444463.db2.gz UEWQWQKBMLSYMB-PZJWPPBQSA-N 1 3 342.531 2.355 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000775742334 577444464 /nfs/dbraw/zinc/44/44/64/577444464.db2.gz UEWQWQKBMLSYMB-PZJWPPBQSA-N 1 3 342.531 2.355 20 10 EECDHO CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768445864 577555930 /nfs/dbraw/zinc/55/59/30/577555930.db2.gz IQZPYFOYHZKNEO-SFHVURJKSA-N 1 3 334.460 2.370 20 10 EECDHO CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768445864 577555931 /nfs/dbraw/zinc/55/59/31/577555931.db2.gz IQZPYFOYHZKNEO-SFHVURJKSA-N 1 3 334.460 2.370 20 10 EECDHO COc1cc(C)cc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000894770524 683076406 /nfs/dbraw/zinc/07/64/06/683076406.db2.gz PRQXDENXIYZEMU-GOSISDBHSA-N 1 3 347.503 2.310 20 10 EECDHO COc1cc(C)cc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1O ZINC000894770524 683076410 /nfs/dbraw/zinc/07/64/10/683076410.db2.gz PRQXDENXIYZEMU-GOSISDBHSA-N 1 3 347.503 2.310 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)ccc2O1 ZINC001222109352 1299360921 /nfs/dbraw/zinc/36/09/21/1299360921.db2.gz FYNNVVJHJHKNCO-UHFFFAOYSA-N 1 3 343.471 2.104 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)ccc2O1 ZINC001222109352 1299360930 /nfs/dbraw/zinc/36/09/30/1299360930.db2.gz FYNNVVJHJHKNCO-UHFFFAOYSA-N 1 3 343.471 2.104 20 10 EECDHO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809703913 783320602 /nfs/dbraw/zinc/32/06/02/783320602.db2.gz RTDMMRLQKLIOIH-NQIIRXRSSA-N 1 3 342.531 2.497 20 10 EECDHO CO[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(F)(F)F ZINC000771839511 577233685 /nfs/dbraw/zinc/23/36/85/577233685.db2.gz WPFVQWWGMCJDSS-OAHLLOKOSA-N 1 3 331.382 2.105 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CN3CCCC3)C2)cc1C ZINC000989798831 692331496 /nfs/dbraw/zinc/33/14/96/692331496.db2.gz GLJKYIJQPQODCL-WMZOPIPTSA-N 1 3 345.487 2.178 20 10 EECDHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CN1C1CC1 ZINC000883283514 1202040395 /nfs/dbraw/zinc/04/03/95/1202040395.db2.gz IIQFCABADNPYPQ-FUHWJXTLSA-N 1 3 328.504 2.153 20 10 EECDHO CN1CCN(c2ccc(CN3CCC[C@H]3C[NH+]3CCCC3)cc2)CC1 ZINC000775664352 577442126 /nfs/dbraw/zinc/44/21/26/577442126.db2.gz LTDNSIMEEPULRI-NRFANRHFSA-N 1 3 342.531 2.499 20 10 EECDHO CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CN3CCCC3)cc2)CC1 ZINC000775664352 577442127 /nfs/dbraw/zinc/44/21/27/577442127.db2.gz LTDNSIMEEPULRI-NRFANRHFSA-N 1 3 342.531 2.499 20 10 EECDHO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3CN3CCCC3)cc2)CC1 ZINC000775664352 577442128 /nfs/dbraw/zinc/44/21/28/577442128.db2.gz LTDNSIMEEPULRI-NRFANRHFSA-N 1 3 342.531 2.499 20 10 EECDHO CCOC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)C)cc2[O-])CCC12C[NH2+]C2 ZINC001237429176 1305928741 /nfs/dbraw/zinc/92/87/41/1305928741.db2.gz DPXZWCPARXTPMQ-KRWDZBQOSA-N 1 3 346.471 2.490 20 10 EECDHO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2[O-])CCC12C[NH2+]C2 ZINC001237429176 1305928742 /nfs/dbraw/zinc/92/87/42/1305928742.db2.gz DPXZWCPARXTPMQ-KRWDZBQOSA-N 1 3 346.471 2.490 20 10 EECDHO CC[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000839564760 1315215422 /nfs/dbraw/zinc/21/54/22/1315215422.db2.gz YBYSHOSSPNNCQZ-OAHLLOKOSA-N 1 3 332.492 2.004 20 10 EECDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205240022 1322327293 /nfs/dbraw/zinc/32/72/93/1322327293.db2.gz GQZQRRCMSDVAPT-OAHLLOKOSA-N 1 3 343.265 2.139 20 10 EECDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1[O-] ZINC001205240022 1322327301 /nfs/dbraw/zinc/32/73/01/1322327301.db2.gz GQZQRRCMSDVAPT-OAHLLOKOSA-N 1 3 343.265 2.139 20 10 EECDHO COc1cccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000702559973 1196011190 /nfs/dbraw/zinc/01/11/90/1196011190.db2.gz AWWAGHVOVOOPPN-HXUWFJFHSA-N 1 3 342.439 2.127 20 10 EECDHO COc1cccc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000702559973 1196011191 /nfs/dbraw/zinc/01/11/91/1196011191.db2.gz AWWAGHVOVOOPPN-HXUWFJFHSA-N 1 3 342.439 2.127 20 10 EECDHO N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218582448 1297720636 /nfs/dbraw/zinc/72/06/36/1297720636.db2.gz XBOXCOJEZDTFSU-FKEUZNKFSA-N 1 3 341.419 2.062 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CC(=O)OC)cc2)CC1 ZINC001140306246 1314863090 /nfs/dbraw/zinc/86/30/90/1314863090.db2.gz QJHOZFHYXWMIOF-IBGZPJMESA-N 1 3 345.487 2.356 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)OC)cc2)CC1 ZINC001140306246 1314863095 /nfs/dbraw/zinc/86/30/95/1314863095.db2.gz QJHOZFHYXWMIOF-IBGZPJMESA-N 1 3 345.487 2.356 20 10 EECDHO CN(C)c1cc(F)c(CNCCN2CCC([NH+](C)C)CC2)cc1F ZINC001328756210 1334515335 /nfs/dbraw/zinc/51/53/35/1334515335.db2.gz FNFHUYMCUDDMLQ-UHFFFAOYSA-N 1 3 340.462 2.146 20 10 EECDHO CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428439 1334648188 /nfs/dbraw/zinc/64/81/88/1334648188.db2.gz RDYAAYKDENZYCT-LNLFQRSKSA-N 1 3 346.494 2.137 20 10 EECDHO [NH3+]C[C@H]1CCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935367 785079691 /nfs/dbraw/zinc/07/96/91/785079691.db2.gz NNZZDTRMYWQHOZ-CJNGLKHVSA-N 1 3 325.403 2.018 20 10 EECDHO Cc1ccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c(O)c1 ZINC001276168614 1205810798 /nfs/dbraw/zinc/81/07/98/1205810798.db2.gz GZLSHJVALIEGIE-UHFFFAOYSA-N 1 3 340.471 2.495 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCN3C)[C@H]2C)cc1C ZINC001074565191 1257073025 /nfs/dbraw/zinc/07/30/25/1257073025.db2.gz YFEPNXQSIWWQTJ-SZMVWBNQSA-N 1 3 345.487 2.177 20 10 EECDHO Cc1cc(CN(C)CCN2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC001236082228 1305498427 /nfs/dbraw/zinc/49/84/27/1305498427.db2.gz BNULPEPNZGDQMY-UHFFFAOYSA-N 1 3 326.488 2.431 20 10 EECDHO CCN1CCN(c2ccc(CN3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC001236095250 1305501361 /nfs/dbraw/zinc/50/13/61/1305501361.db2.gz OUMDJSHMNUOPPA-KDURUIRLSA-N 1 3 328.504 2.155 20 10 EECDHO CN(C)Cc1cccc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000832282492 1314669703 /nfs/dbraw/zinc/66/97/03/1314669703.db2.gz ZUNUZBOKMLSUJN-LJQANCHMSA-N 1 3 340.471 2.244 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CN(C)C(C)C)C2)cc1C ZINC001755693588 1407738931 /nfs/dbraw/zinc/73/89/31/1407738931.db2.gz QOEALVGHJZIWDB-SJLPKXTDSA-N 1 3 347.503 2.423 20 10 EECDHO CCN1CCN(c2ccc(CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2F)CC1 ZINC000817901236 785054845 /nfs/dbraw/zinc/05/48/45/785054845.db2.gz ADNRDVOUEGAPFZ-JWTNVVGKSA-N 1 3 346.494 2.340 20 10 EECDHO CCOc1ccc(O)c(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000377620489 467098549 /nfs/dbraw/zinc/09/85/49/467098549.db2.gz DQORRBPGZZRIGJ-SFHVURJKSA-N 1 3 347.503 2.391 20 10 EECDHO CCOc1ccc(O)c(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000377620489 467098550 /nfs/dbraw/zinc/09/85/50/467098550.db2.gz DQORRBPGZZRIGJ-SFHVURJKSA-N 1 3 347.503 2.391 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001140300888 1314859170 /nfs/dbraw/zinc/85/91/70/1314859170.db2.gz VVKNCVZHWAFPLK-SFHVURJKSA-N 1 3 345.487 2.214 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001140300888 1314859175 /nfs/dbraw/zinc/85/91/75/1314859175.db2.gz VVKNCVZHWAFPLK-SFHVURJKSA-N 1 3 345.487 2.214 20 10 EECDHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210811135 1325444970 /nfs/dbraw/zinc/44/49/70/1325444970.db2.gz JTGVUTPVFAQITO-GOSISDBHSA-N 1 3 347.503 2.426 20 10 EECDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001755663768 1407713476 /nfs/dbraw/zinc/71/34/76/1407713476.db2.gz OCYVASZUOFVVMR-FUHWJXTLSA-N 1 3 347.503 2.424 20 10 EECDHO C[C@@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000817974029 785125041 /nfs/dbraw/zinc/12/50/41/785125041.db2.gz XKSDCTBOOIPGIE-CJNGLKHVSA-N 1 3 344.425 2.239 20 10 EECDHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)cc1C ZINC001026733922 684925402 /nfs/dbraw/zinc/92/54/02/684925402.db2.gz JUTRKJHUSWNCGD-ZWKOTPCHSA-N 1 3 345.487 2.036 20 10 EECDHO CC(C)[C@@H](C[NH2+]Cc1c(O)cccc1Cl)N1CCN(C)CC1 ZINC000113319830 1224287358 /nfs/dbraw/zinc/28/73/58/1224287358.db2.gz FMYZIWJZABTVLK-MRXNPFEDSA-N 1 3 325.884 2.407 20 10 EECDHO CCN1CCN(c2ccc(CN3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC001140303816 1314861565 /nfs/dbraw/zinc/86/15/65/1314861565.db2.gz BGAAOBPEJFHVQG-UHFFFAOYSA-N 1 3 342.531 2.356 20 10 EECDHO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC001319696152 1332744705 /nfs/dbraw/zinc/74/47/05/1332744705.db2.gz ZSHHLPVPIBZUPP-GOSISDBHSA-N 1 3 348.510 2.351 20 10 EECDHO CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC001319696152 1332744706 /nfs/dbraw/zinc/74/47/06/1332744706.db2.gz ZSHHLPVPIBZUPP-GOSISDBHSA-N 1 3 348.510 2.351 20 10 EECDHO CN1CCN(c2ccc(C[N@H+](C)C[C@@H]3CCCN(C)C3)cc2F)CC1 ZINC001319696152 1332744708 /nfs/dbraw/zinc/74/47/08/1332744708.db2.gz ZSHHLPVPIBZUPP-GOSISDBHSA-N 1 3 348.510 2.351 20 10 EECDHO CN1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CCCN(C)C3)cc2F)CC1 ZINC001319696152 1332744710 /nfs/dbraw/zinc/74/47/10/1332744710.db2.gz ZSHHLPVPIBZUPP-GOSISDBHSA-N 1 3 348.510 2.351 20 10 EECDHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000848718836 1373170627 /nfs/dbraw/zinc/17/06/27/1373170627.db2.gz RBEOOYNPSZIWMB-IAGOWNOFSA-N 1 3 334.483 2.327 20 10 EECDHO CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[O-] ZINC000817973250 785124248 /nfs/dbraw/zinc/12/42/48/785124248.db2.gz RTDKTKGVOXMWID-DZGCQCFKSA-N 1 3 331.382 2.269 20 10 EECDHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834871 467149464 /nfs/dbraw/zinc/14/94/64/467149464.db2.gz OVOUKNVQWIOEQG-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834871 467149467 /nfs/dbraw/zinc/14/94/67/467149467.db2.gz OVOUKNVQWIOEQG-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834871 467149468 /nfs/dbraw/zinc/14/94/68/467149468.db2.gz OVOUKNVQWIOEQG-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834871 467149470 /nfs/dbraw/zinc/14/94/70/467149470.db2.gz OVOUKNVQWIOEQG-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C ZINC000775711910 577443398 /nfs/dbraw/zinc/44/33/98/577443398.db2.gz KBVLHNOTXOUWRS-ZWKOTPCHSA-N 1 3 330.520 2.353 20 10 EECDHO CC[N@H+]1C[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C ZINC000775711910 577443399 /nfs/dbraw/zinc/44/33/99/577443399.db2.gz KBVLHNOTXOUWRS-ZWKOTPCHSA-N 1 3 330.520 2.353 20 10 EECDHO COc1cc(CN2CC[C@@H]3OCCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253332 1314721499 /nfs/dbraw/zinc/72/14/99/1314721499.db2.gz RBVOCWXWZCMXDH-RDJZCZTQSA-N 1 3 334.460 2.463 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C)[C@@H]3CO)cc2)CC1 ZINC001140302661 1314861149 /nfs/dbraw/zinc/86/11/49/1314861149.db2.gz WZMDFGDSXHTAEN-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)[C@@H]3CO)cc2)CC1 ZINC001140302661 1314861156 /nfs/dbraw/zinc/86/11/56/1314861156.db2.gz WZMDFGDSXHTAEN-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(CN3CCC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001140304668 1314862701 /nfs/dbraw/zinc/86/27/01/1314862701.db2.gz XVEDRNBELNRBNX-OAQYLSRUSA-N 1 3 342.531 2.499 20 10 EECDHO CCN1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001140304668 1314862708 /nfs/dbraw/zinc/86/27/08/1314862708.db2.gz XVEDRNBELNRBNX-OAQYLSRUSA-N 1 3 342.531 2.499 20 10 EECDHO CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428444 1334648207 /nfs/dbraw/zinc/64/82/07/1334648207.db2.gz RDYAAYKDENZYCT-YQVWRLOYSA-N 1 3 346.494 2.137 20 10 EECDHO CC[NH+]1C[C@@H]2CN(Cc3cc4c5c(c3O)CCCN5CCC4)C[C@H]2C1 ZINC001138341132 1372385027 /nfs/dbraw/zinc/38/50/27/1372385027.db2.gz IFDZQNMUWZPGMZ-QZTJIDSGSA-N 1 3 341.499 2.475 20 10 EECDHO CCN1CCN(c2ccc(CN[C@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000848718840 1373170881 /nfs/dbraw/zinc/17/08/81/1373170881.db2.gz RBEOOYNPSZIWMB-SJORKVTESA-N 1 3 334.483 2.327 20 10 EECDHO COc1ccc(N2CCN(CCN[C@H]3CCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000817892792 785049111 /nfs/dbraw/zinc/04/91/11/785049111.db2.gz CLAWXIOCVBDGFN-PMACEKPBSA-N 1 3 346.519 2.067 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001022714296 678308590 /nfs/dbraw/zinc/30/85/90/678308590.db2.gz SZTZXXZPHTXERP-OLMNPRSZSA-N 1 3 345.487 2.082 20 10 EECDHO CCN(CC)c1ccc(CN2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843121244 1315848144 /nfs/dbraw/zinc/84/81/44/1315848144.db2.gz HCRFHUXXMFFFKW-QGZVFWFLSA-N 1 3 334.483 2.151 20 10 EECDHO CC(C)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263260079 1322449067 /nfs/dbraw/zinc/44/90/67/1322449067.db2.gz PYYUAVOKTWQNNI-ZWKOTPCHSA-N 1 3 334.508 2.235 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCCCC[C@H]2[NH3+])N(C)C)cc1 ZINC001578424462 1403753796 /nfs/dbraw/zinc/75/37/96/1403753796.db2.gz HQYTWWPEDHIRLU-IPMKNSEASA-N 1 3 346.519 2.379 20 10 EECDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179983197 800198612 /nfs/dbraw/zinc/19/86/12/800198612.db2.gz OCYVASZUOFVVMR-WMZOPIPTSA-N 1 3 347.503 2.424 20 10 EECDHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834869 467149181 /nfs/dbraw/zinc/14/91/81/467149181.db2.gz OVOUKNVQWIOEQG-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834869 467149184 /nfs/dbraw/zinc/14/91/84/467149184.db2.gz OVOUKNVQWIOEQG-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834869 467149187 /nfs/dbraw/zinc/14/91/87/467149187.db2.gz OVOUKNVQWIOEQG-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834869 467149189 /nfs/dbraw/zinc/14/91/89/467149189.db2.gz OVOUKNVQWIOEQG-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCN(c2ccc(CN3CCC[C@@H]([NH+](C)C)CC3)cc2)CC1 ZINC000763613970 577723429 /nfs/dbraw/zinc/72/34/29/577723429.db2.gz KWQINJRNBARHKJ-LJQANCHMSA-N 1 3 330.520 2.355 20 10 EECDHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251029 676247294 /nfs/dbraw/zinc/24/72/94/676247294.db2.gz BYGNJYJLVYZBSY-GPMSIDNRSA-N 1 3 346.519 2.344 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cc1C ZINC000987070740 689307949 /nfs/dbraw/zinc/30/79/49/689307949.db2.gz SKFGQTWOTNVNSI-YOEHRIQHSA-N 1 3 342.443 2.048 20 10 EECDHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877524979 1199956526 /nfs/dbraw/zinc/95/65/26/1199956526.db2.gz MSOYJUQJAMVTJV-SFHVURJKSA-N 1 3 331.504 2.468 20 10 EECDHO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877524979 1199956529 /nfs/dbraw/zinc/95/65/29/1199956529.db2.gz MSOYJUQJAMVTJV-SFHVURJKSA-N 1 3 331.504 2.468 20 10 EECDHO Cc1ccc(O)c(C[NH+]2CCC3(CCN(CC(=O)N(C)C)C3)CC2)c1 ZINC001275311746 1205306004 /nfs/dbraw/zinc/30/60/04/1205306004.db2.gz LKSBGRXRMYLLIW-UHFFFAOYSA-N 1 3 345.487 2.077 20 10 EECDHO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCCN2C)cc1C ZINC001044959922 1233404777 /nfs/dbraw/zinc/40/47/77/1233404777.db2.gz PPCCDVIEUFFUDS-ZWKOTPCHSA-N 1 3 345.487 2.178 20 10 EECDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850565834 1277268728 /nfs/dbraw/zinc/26/87/28/1277268728.db2.gz IDYUBUSBAKBMQG-OXJNMPFZSA-N 1 3 331.504 2.468 20 10 EECDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850565834 1277268737 /nfs/dbraw/zinc/26/87/37/1277268737.db2.gz IDYUBUSBAKBMQG-OXJNMPFZSA-N 1 3 331.504 2.468 20 10 EECDHO CC(C)N(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236468464 1305584799 /nfs/dbraw/zinc/58/47/99/1305584799.db2.gz NSRDSRFGQARESA-HXUWFJFHSA-N 1 3 330.520 2.401 20 10 EECDHO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000841005280 1315453000 /nfs/dbraw/zinc/45/30/00/1315453000.db2.gz KKALZDRURJUCGH-SFHVURJKSA-N 1 3 346.519 2.160 20 10 EECDHO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000841005280 1315453004 /nfs/dbraw/zinc/45/30/04/1315453004.db2.gz KKALZDRURJUCGH-SFHVURJKSA-N 1 3 346.519 2.160 20 10 EECDHO [NH3+]Cc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000843128998 1315850010 /nfs/dbraw/zinc/85/00/10/1315850010.db2.gz OCDFFLYBFXOYIE-UHFFFAOYSA-N 1 3 329.419 2.411 20 10 EECDHO CCN1CCN(c2ccc(CN[C@H]3CC[NH2+]CC[C@@H]3C)cc2F)CC1 ZINC000817902290 785054866 /nfs/dbraw/zinc/05/48/66/785054866.db2.gz MKIQPJLDXNJAFH-LPHOPBHVSA-N 1 3 348.510 2.445 20 10 EECDHO [NH3+]C[C@@H]1CCCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935969 785083548 /nfs/dbraw/zinc/08/35/48/785083548.db2.gz RDTGRIMUYBFZKX-WMLDXEAASA-N 1 3 339.430 2.409 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)CC[NH2+]C(C)(C)C)N(C)C)cc1 ZINC000891257135 676252577 /nfs/dbraw/zinc/25/25/77/676252577.db2.gz DCXXOPBRABCKIS-KRWDZBQOSA-N 1 3 334.508 2.250 20 10 EECDHO OC1CCN(c2ccc(CNC[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000876929030 1199821839 /nfs/dbraw/zinc/82/18/39/1199821839.db2.gz FZXHLPZFYLGEGD-QGZVFWFLSA-N 1 3 329.488 2.222 20 10 EECDHO OC1CCN(c2ccc(CNC[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000876929030 1199821843 /nfs/dbraw/zinc/82/18/43/1199821843.db2.gz FZXHLPZFYLGEGD-QGZVFWFLSA-N 1 3 329.488 2.222 20 10 EECDHO OC1CCN(c2ccc(C[NH2+]C[C@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000876929030 1199821849 /nfs/dbraw/zinc/82/18/49/1199821849.db2.gz FZXHLPZFYLGEGD-QGZVFWFLSA-N 1 3 329.488 2.222 20 10 EECDHO Cc1cc(CN2CCC([NH+]3CCN(C)CC3)CC2)ccc1N(C)C ZINC000879594343 1201163493 /nfs/dbraw/zinc/16/34/93/1201163493.db2.gz FXDCKHYBMULSGO-UHFFFAOYSA-N 1 3 330.520 2.273 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001019381259 1229050942 /nfs/dbraw/zinc/05/09/42/1229050942.db2.gz CTYAPOUGKIZNFP-WMZOPIPTSA-N 1 3 345.487 2.178 20 10 EECDHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001000227581 1240082205 /nfs/dbraw/zinc/08/22/05/1240082205.db2.gz OKKUUITZIHRQTD-MSOLQXFVSA-N 1 3 347.503 2.424 20 10 EECDHO COC(=O)Cc1ccc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c([O-])c1 ZINC001249213912 1317023764 /nfs/dbraw/zinc/02/37/64/1317023764.db2.gz CBSOCVPSQDBXHV-UHFFFAOYSA-N 1 3 346.471 2.416 20 10 EECDHO CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263260077 1322448842 /nfs/dbraw/zinc/44/88/42/1322448842.db2.gz PYYUAVOKTWQNNI-QZTJIDSGSA-N 1 3 334.508 2.235 20 10 EECDHO CN1CCN(c2ccc(CN[C@@H]3CC[NH2+]CC3(C)C)cc2F)CC1 ZINC001345104173 1337425891 /nfs/dbraw/zinc/42/58/91/1337425891.db2.gz KMSRLSKNKKCDJX-GOSISDBHSA-N 1 3 334.483 2.055 20 10 EECDHO COc1ccc(C[NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)cc1C ZINC000997042530 788551180 /nfs/dbraw/zinc/55/11/80/788551180.db2.gz QNHFRWZCPQOHKE-UHFFFAOYSA-N 1 3 342.443 2.050 20 10 EECDHO C[C@H]1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@@H+]1C ZINC000891248400 676242438 /nfs/dbraw/zinc/24/24/38/676242438.db2.gz LIZUOVSYNIXGFR-VDZJLULYSA-N 1 3 346.519 2.202 20 10 EECDHO C[C@H]1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@H+]1C ZINC000891248400 676242439 /nfs/dbraw/zinc/24/24/39/676242439.db2.gz LIZUOVSYNIXGFR-VDZJLULYSA-N 1 3 346.519 2.202 20 10 EECDHO CCN(C)c1ccc(CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000879596525 1201164136 /nfs/dbraw/zinc/16/41/36/1201164136.db2.gz NYOUZFHWCCERMD-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC001018999014 1228618394 /nfs/dbraw/zinc/61/83/94/1228618394.db2.gz CPOUUNFPKDHHGP-HKUYNNGSSA-N 1 3 347.503 2.280 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](CCO)C3)cc2)CC1 ZINC001140304059 1314861991 /nfs/dbraw/zinc/86/19/91/1314861991.db2.gz GSXNTTLAYIRDHR-GOSISDBHSA-N 1 3 331.504 2.423 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](CCO)C3)cc2)CC1 ZINC001140304059 1314861995 /nfs/dbraw/zinc/86/19/95/1314861995.db2.gz GSXNTTLAYIRDHR-GOSISDBHSA-N 1 3 331.504 2.423 20 10 EECDHO C[NH+](C)CCN1CCC2(C1)CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001276537736 1324000702 /nfs/dbraw/zinc/00/07/02/1324000702.db2.gz MUEWPIYGBWNBBB-UHFFFAOYSA-N 1 3 335.467 2.381 20 10 EECDHO C[C@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@@H+]1C ZINC001318723870 1332582978 /nfs/dbraw/zinc/58/29/78/1332582978.db2.gz FKAUPDXRZVGROR-RDJZCZTQSA-N 1 3 334.483 2.150 20 10 EECDHO C[C@H]1C[C@@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@H+]1C ZINC001318723870 1332582979 /nfs/dbraw/zinc/58/29/79/1332582979.db2.gz FKAUPDXRZVGROR-RDJZCZTQSA-N 1 3 334.483 2.150 20 10 EECDHO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001318723870 1332582981 /nfs/dbraw/zinc/58/29/81/1332582981.db2.gz FKAUPDXRZVGROR-RDJZCZTQSA-N 1 3 334.483 2.150 20 10 EECDHO CN1CCN(c2ccc(CNC[C@@H]([NH3+])c3ccccc3)cc2F)CC1 ZINC001328677093 1334496932 /nfs/dbraw/zinc/49/69/32/1334496932.db2.gz JSMXIXBHNNHBOP-LJQANCHMSA-N 1 3 342.462 2.367 20 10 EECDHO C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)Cn1ccnc1 ZINC000771818921 577232646 /nfs/dbraw/zinc/23/26/46/577232646.db2.gz NSQOYXIZAFWYHJ-QGZVFWFLSA-N 1 3 327.476 2.061 20 10 EECDHO CN(C)CC[N@@H+]1CCCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1 ZINC001275821203 1205549871 /nfs/dbraw/zinc/54/98/71/1205549871.db2.gz JMJRNHTYXOZEOQ-UHFFFAOYSA-N 1 3 347.503 2.337 20 10 EECDHO CN(C)CC[N@H+]1CCCC2(CCN(Cc3ccc(O)c(O)c3)CC2)C1 ZINC001275821203 1205549872 /nfs/dbraw/zinc/54/98/72/1205549872.db2.gz JMJRNHTYXOZEOQ-UHFFFAOYSA-N 1 3 347.503 2.337 20 10 EECDHO CCN1CCN(c2ccc(CN(C)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC001236208598 1305535619 /nfs/dbraw/zinc/53/56/19/1305535619.db2.gz SUWPQTJKGHINNT-FQEVSTJZSA-N 1 3 330.520 2.402 20 10 EECDHO CC(C)[N@H+](C)[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139410729 1314740688 /nfs/dbraw/zinc/74/06/88/1314740688.db2.gz AWZIMDAIVZWFJI-FQEVSTJZSA-N 1 3 330.520 2.353 20 10 EECDHO CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139410729 1314740691 /nfs/dbraw/zinc/74/06/91/1314740691.db2.gz AWZIMDAIVZWFJI-FQEVSTJZSA-N 1 3 330.520 2.353 20 10 EECDHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001326236467 1334049246 /nfs/dbraw/zinc/04/92/46/1334049246.db2.gz JMBMFKRGZODLFH-IBGZPJMESA-N 1 3 344.503 2.106 20 10 EECDHO CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335664825 1336409083 /nfs/dbraw/zinc/40/90/83/1336409083.db2.gz GGDYSOZWVSWTIH-SJLPKXTDSA-N 1 3 349.523 2.028 20 10 EECDHO CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775726596 577443974 /nfs/dbraw/zinc/44/39/74/577443974.db2.gz USROIWYMYLCDCN-IBGZPJMESA-N 1 3 330.520 2.212 20 10 EECDHO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775726596 577443975 /nfs/dbraw/zinc/44/39/75/577443975.db2.gz USROIWYMYLCDCN-IBGZPJMESA-N 1 3 330.520 2.212 20 10 EECDHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCCC2)cc1 ZINC001275959500 1205603342 /nfs/dbraw/zinc/60/33/42/1205603342.db2.gz CGPDMZDQKKEPOO-OYRHEFFESA-N 1 3 342.531 2.497 20 10 EECDHO CCC([NH3+])(CC)CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120629608 1309651802 /nfs/dbraw/zinc/65/18/02/1309651802.db2.gz IKWTYAVQAPWGDO-QGZVFWFLSA-N 1 3 349.523 2.172 20 10 EECDHO COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1[O-] ZINC000841084625 1315470772 /nfs/dbraw/zinc/47/07/72/1315470772.db2.gz MBXRMDSUKQQDOP-SKDRFNHKSA-N 1 3 329.238 2.380 20 10 EECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157435087 1318638040 /nfs/dbraw/zinc/63/80/40/1318638040.db2.gz RGRDMVBKZCDFOY-SJLPKXTDSA-N 1 3 345.487 2.076 20 10 EECDHO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326221830 1334046077 /nfs/dbraw/zinc/04/60/77/1334046077.db2.gz KENPOFIMTAFQQV-RDJZCZTQSA-N 1 3 334.483 2.137 20 10 EECDHO [NH3+]C[C@H]1CCCC[C@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935967 785083745 /nfs/dbraw/zinc/08/37/45/785083745.db2.gz RDTGRIMUYBFZKX-RHSMWYFYSA-N 1 3 339.430 2.409 20 10 EECDHO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775661163 577442056 /nfs/dbraw/zinc/44/20/56/577442056.db2.gz MORLEVBXJFVWRH-UHFFFAOYSA-N 1 3 327.476 2.194 20 10 EECDHO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775661163 577442057 /nfs/dbraw/zinc/44/20/57/577442057.db2.gz MORLEVBXJFVWRH-UHFFFAOYSA-N 1 3 327.476 2.194 20 10 EECDHO [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275952907 1205601457 /nfs/dbraw/zinc/60/14/57/1205601457.db2.gz ONPKZFPQTMWIBO-IYBDPMFKSA-N 1 3 342.443 2.165 20 10 EECDHO [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275952907 1205601458 /nfs/dbraw/zinc/60/14/58/1205601458.db2.gz ONPKZFPQTMWIBO-IYBDPMFKSA-N 1 3 342.443 2.165 20 10 EECDHO [O-]c1cc(O)ccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275952907 1205601459 /nfs/dbraw/zinc/60/14/59/1205601459.db2.gz ONPKZFPQTMWIBO-IYBDPMFKSA-N 1 3 342.443 2.165 20 10 EECDHO [O-]c1cc(O)ccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275952907 1205601460 /nfs/dbraw/zinc/60/14/60/1205601460.db2.gz ONPKZFPQTMWIBO-IYBDPMFKSA-N 1 3 342.443 2.165 20 10 EECDHO CC[NH+](CC)CCN(C)C(=O)C12CC([NH2+]Cc3ccccc3[O-])(C1)C2 ZINC001277441248 1303029837 /nfs/dbraw/zinc/02/98/37/1303029837.db2.gz JZDDFKKBCREJSX-UHFFFAOYSA-N 1 3 345.487 2.205 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@](C)(O)[C@@H](C)C3)cc2)CC1 ZINC001140302506 1314861055 /nfs/dbraw/zinc/86/10/55/1314861055.db2.gz SOXIDFLKWNEFOH-PXNSSMCTSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)[C@@H](C)C3)cc2)CC1 ZINC001140302506 1314861061 /nfs/dbraw/zinc/86/10/61/1314861061.db2.gz SOXIDFLKWNEFOH-PXNSSMCTSA-N 1 3 331.504 2.421 20 10 EECDHO CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1[O-] ZINC000840831014 1315419088 /nfs/dbraw/zinc/41/90/88/1315419088.db2.gz KGTULDBBXSTQAG-SFHVURJKSA-N 1 3 347.503 2.230 20 10 EECDHO CCCN1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676239 1334141417 /nfs/dbraw/zinc/14/14/17/1334141417.db2.gz PYGJJRWESMRIGL-ZWKOTPCHSA-N 1 3 332.492 2.133 20 10 EECDHO CCCN1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676237 1334141471 /nfs/dbraw/zinc/14/14/71/1334141471.db2.gz PYGJJRWESMRIGL-ROUUACIJSA-N 1 3 332.492 2.133 20 10 EECDHO CCN1CCN(c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000848718834 1373170802 /nfs/dbraw/zinc/17/08/02/1373170802.db2.gz RBEOOYNPSZIWMB-DLBZAZTESA-N 1 3 334.483 2.327 20 10 EECDHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255987 676252080 /nfs/dbraw/zinc/25/20/80/676252080.db2.gz UPZKILPYJMPZHP-OALUTQOASA-N 1 3 346.519 2.346 20 10 EECDHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255987 676252081 /nfs/dbraw/zinc/25/20/81/676252081.db2.gz UPZKILPYJMPZHP-OALUTQOASA-N 1 3 346.519 2.346 20 10 EECDHO CCN1CCN(c2ccc(CN(C)[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC001236208599 1305536148 /nfs/dbraw/zinc/53/61/48/1305536148.db2.gz SUWPQTJKGHINNT-HXUWFJFHSA-N 1 3 330.520 2.402 20 10 EECDHO Cc1cc([O-])c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Br ZINC001205247162 1322329773 /nfs/dbraw/zinc/32/97/73/1322329773.db2.gz CBQNIIOOBSDRRW-HNNXBMFYSA-N 1 3 343.265 2.139 20 10 EECDHO Cc1cc([O-])c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Br ZINC001205247162 1322329777 /nfs/dbraw/zinc/32/97/77/1322329777.db2.gz CBQNIIOOBSDRRW-HNNXBMFYSA-N 1 3 343.265 2.139 20 10 EECDHO C[C@H]1CCC[N@H+](CCNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001308200735 1331572526 /nfs/dbraw/zinc/57/25/26/1331572526.db2.gz RRAGJASWKBJACY-KRWDZBQOSA-N 1 3 348.510 2.399 20 10 EECDHO C[C@H]1CCC[N@@H+](CCNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001308200735 1331572550 /nfs/dbraw/zinc/57/25/50/1331572550.db2.gz RRAGJASWKBJACY-KRWDZBQOSA-N 1 3 348.510 2.399 20 10 EECDHO CN1CCN(c2ccc(CN[C@H]3CC[NH2+]CC3(C)C)cc2F)CC1 ZINC001345104174 1337425816 /nfs/dbraw/zinc/42/58/16/1337425816.db2.gz KMSRLSKNKKCDJX-SFHVURJKSA-N 1 3 334.483 2.055 20 10 EECDHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCN3C)C2)cc1C ZINC000998549083 792979769 /nfs/dbraw/zinc/97/97/69/792979769.db2.gz KCLLCXQQEADDAW-DAWZGUTISA-N 1 3 345.487 2.177 20 10 EECDHO Cc1cc(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])cc1Br ZINC001205255552 801478906 /nfs/dbraw/zinc/47/89/06/801478906.db2.gz JZSCCWXHAAYBOS-OAHLLOKOSA-N 1 3 343.265 2.139 20 10 EECDHO Cc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c([O-])cc1Br ZINC001205255552 801478912 /nfs/dbraw/zinc/47/89/12/801478912.db2.gz JZSCCWXHAAYBOS-OAHLLOKOSA-N 1 3 343.265 2.139 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC000969947288 675332791 /nfs/dbraw/zinc/33/27/91/675332791.db2.gz CTYAPOUGKIZNFP-SJLPKXTDSA-N 1 3 345.487 2.178 20 10 EECDHO CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCCN1C ZINC001482914053 1187839808 /nfs/dbraw/zinc/83/98/08/1187839808.db2.gz HFCVBMCUOGSSDE-QGZVFWFLSA-N 1 3 333.476 2.036 20 10 EECDHO CCCN(C)CC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100905127 1259418296 /nfs/dbraw/zinc/41/82/96/1259418296.db2.gz XLCZMJWIWBNLDI-UHFFFAOYSA-N 1 3 347.503 2.330 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC001122414432 1310278100 /nfs/dbraw/zinc/27/81/00/1310278100.db2.gz QMLSXDQWAWKDDO-USYGPDCTSA-N 1 3 344.503 2.027 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H](CO)CC[C@@H]3C)cc2)CC1 ZINC001140302148 1314860491 /nfs/dbraw/zinc/86/04/91/1314860491.db2.gz LGUDQGOEQKSDFQ-PKOBYXMFSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H](CO)CC[C@@H]3C)cc2)CC1 ZINC001140302148 1314860495 /nfs/dbraw/zinc/86/04/95/1314860495.db2.gz LGUDQGOEQKSDFQ-PKOBYXMFSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)cc2)CC1 ZINC001140306217 1314863233 /nfs/dbraw/zinc/86/32/33/1314863233.db2.gz PRPDGUAHWOYJBA-UJOPUZHASA-N 1 3 341.499 2.438 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)cc2)CC1 ZINC001140306217 1314863240 /nfs/dbraw/zinc/86/32/40/1314863240.db2.gz PRPDGUAHWOYJBA-UJOPUZHASA-N 1 3 341.499 2.438 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)cc2)CC1 ZINC001140306204 1314863283 /nfs/dbraw/zinc/86/32/83/1314863283.db2.gz OZZQBCGNXVZCBL-NSISKUIASA-N 1 3 329.488 2.295 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)cc2)CC1 ZINC001140306204 1314863289 /nfs/dbraw/zinc/86/32/89/1314863289.db2.gz OZZQBCGNXVZCBL-NSISKUIASA-N 1 3 329.488 2.295 20 10 EECDHO CN1CCC[C@H](C[N@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092253632 1214414266 /nfs/dbraw/zinc/41/42/66/1214414266.db2.gz YHDGPDLBSLWFRA-KRWDZBQOSA-N 1 3 335.467 2.436 20 10 EECDHO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000092253632 1214414272 /nfs/dbraw/zinc/41/42/72/1214414272.db2.gz YHDGPDLBSLWFRA-KRWDZBQOSA-N 1 3 335.467 2.436 20 10 EECDHO CCN(CC)c1ccc(CN2CCC[C@@H](N3CC([NH3+])C3)C2)c(OC)c1 ZINC001236074496 1305492419 /nfs/dbraw/zinc/49/24/19/1305492419.db2.gz YZORSJYFYDKBSO-LJQANCHMSA-N 1 3 346.519 2.149 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC001122413957 1310277962 /nfs/dbraw/zinc/27/79/62/1310277962.db2.gz GZULDLCYFBRHRL-ZWKOTPCHSA-N 1 3 332.492 2.004 20 10 EECDHO COc1cc(CN2CCCC[C@@](O)(CF)C2)cc(C[NH+](C)C)c1O ZINC001139253482 1314721651 /nfs/dbraw/zinc/72/16/51/1314721651.db2.gz VSGCVAWWIXBAEU-GOSISDBHSA-N 1 3 340.439 2.149 20 10 EECDHO CN1CCN(c2ccc(CN3CCCC[C@@H]3CC[NH3+])cc2F)CC1 ZINC001326520184 1334108609 /nfs/dbraw/zinc/10/86/09/1334108609.db2.gz YBZWFMLMPKCIIB-QGZVFWFLSA-N 1 3 334.483 2.281 20 10 EECDHO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771832668 577233339 /nfs/dbraw/zinc/23/33/39/577233339.db2.gz NPEDDHMRRYQLLE-KRWDZBQOSA-N 1 3 341.503 2.369 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)CCCC[NH+](C)C)N(C)C)cc1 ZINC000891253412 676249684 /nfs/dbraw/zinc/24/96/84/676249684.db2.gz SILJRADMKGWLCJ-GOSISDBHSA-N 1 3 334.508 2.203 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CN3CCCC3)C2)cc1C ZINC000989798828 692331166 /nfs/dbraw/zinc/33/11/66/692331166.db2.gz GLJKYIJQPQODCL-AEFFLSMTSA-N 1 3 345.487 2.178 20 10 EECDHO C[C@@H]1C[C@@H](C)N(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834170 1337582365 /nfs/dbraw/zinc/58/23/65/1337582365.db2.gz KQNQZLURFBYSSZ-NUJGCVRESA-N 1 3 348.510 2.383 20 10 EECDHO Cc1nc([C@H]2CCC[NH2+]C2)cc(N2CCCc3ccc(CN)nc32)n1 ZINC001169584532 803889478 /nfs/dbraw/zinc/88/94/78/803889478.db2.gz TUPNTPZFNGTIBZ-HNNXBMFYSA-N 1 3 338.459 2.190 20 10 EECDHO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000771818417 577232467 /nfs/dbraw/zinc/23/24/67/577232467.db2.gz KDQFMKCMHHWJBB-LJQANCHMSA-N 1 3 330.520 2.258 20 10 EECDHO CC(C)[N@H+]1CC[C@H](CNCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000771818417 577232468 /nfs/dbraw/zinc/23/24/68/577232468.db2.gz KDQFMKCMHHWJBB-LJQANCHMSA-N 1 3 330.520 2.258 20 10 EECDHO Nc1ccc(N(Cc2ccccc2)C(=O)[C@@H](N)C2CC[NH2+]CC2)cc1 ZINC001218955914 1297881686 /nfs/dbraw/zinc/88/16/86/1297881686.db2.gz RDEOWDGOOYPPCP-IBGZPJMESA-N 1 3 338.455 2.129 20 10 EECDHO COC(=O)Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)c([O-])c1 ZINC001277421383 1302951675 /nfs/dbraw/zinc/95/16/75/1302951675.db2.gz VWSNQPORGRMFLI-UHFFFAOYSA-N 1 3 346.471 2.416 20 10 EECDHO COC(=O)Cc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c([O-])c1 ZINC001277421383 1302951676 /nfs/dbraw/zinc/95/16/76/1302951676.db2.gz VWSNQPORGRMFLI-UHFFFAOYSA-N 1 3 346.471 2.416 20 10 EECDHO CCC([NH3+])(CC)CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001120629607 1309652367 /nfs/dbraw/zinc/65/23/67/1309652367.db2.gz IKWTYAVQAPWGDO-KRWDZBQOSA-N 1 3 349.523 2.172 20 10 EECDHO CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139410730 1314740648 /nfs/dbraw/zinc/74/06/48/1314740648.db2.gz AWZIMDAIVZWFJI-HXUWFJFHSA-N 1 3 330.520 2.353 20 10 EECDHO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001139410730 1314740652 /nfs/dbraw/zinc/74/06/52/1314740652.db2.gz AWZIMDAIVZWFJI-HXUWFJFHSA-N 1 3 330.520 2.353 20 10 EECDHO CCOC(=O)CC[N@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140304622 1314862083 /nfs/dbraw/zinc/86/20/83/1314862083.db2.gz WMOHWNGNHQCVSF-UHFFFAOYSA-N 1 3 333.476 2.214 20 10 EECDHO CCOC(=O)CC[N@@H+](C)Cc1ccc(N2CCN(CC)CC2)cc1 ZINC001140304622 1314862091 /nfs/dbraw/zinc/86/20/91/1314862091.db2.gz WMOHWNGNHQCVSF-UHFFFAOYSA-N 1 3 333.476 2.214 20 10 EECDHO CN(Cc1nc2c(s1)CNCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC001578419262 1344277250 /nfs/dbraw/zinc/27/72/50/1344277250.db2.gz NVUVUUBFXGAHEJ-UHFFFAOYSA-N 1 3 346.500 2.366 20 10 EECDHO CN1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823464 577232827 /nfs/dbraw/zinc/23/28/27/577232827.db2.gz CWARXCJOVSBXBV-ICSRJNTNSA-N 1 3 328.504 2.155 20 10 EECDHO CN1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823464 577232828 /nfs/dbraw/zinc/23/28/28/577232828.db2.gz CWARXCJOVSBXBV-ICSRJNTNSA-N 1 3 328.504 2.155 20 10 EECDHO CC(C)[N@@H+]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775637541 577441484 /nfs/dbraw/zinc/44/14/84/577441484.db2.gz QQTZAIPMIYHATA-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO CC(C)[N@H+]1CCCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775637541 577441485 /nfs/dbraw/zinc/44/14/85/577441485.db2.gz QQTZAIPMIYHATA-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001020590350 675219365 /nfs/dbraw/zinc/21/93/65/675219365.db2.gz SZTZXXZPHTXERP-WBAXXEDZSA-N 1 3 345.487 2.082 20 10 EECDHO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883289322 1202041393 /nfs/dbraw/zinc/04/13/93/1202041393.db2.gz KYDWDBBWCWUMRP-OXJNMPFZSA-N 1 3 328.504 2.011 20 10 EECDHO C[NH+](C)CCN1CC2(C1)CN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001276292119 1205871177 /nfs/dbraw/zinc/87/11/77/1205871177.db2.gz ZIZVZHGNCCYYEA-UHFFFAOYSA-N 1 3 331.504 2.369 20 10 EECDHO C[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(CC(=O)OC)cc3[O-])(C1)CCC2 ZINC001277421000 1302948567 /nfs/dbraw/zinc/94/85/67/1302948567.db2.gz LNFBQUPCWNAJEQ-RBUKOAKNSA-N 1 3 332.444 2.262 20 10 EECDHO CCC[N@@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001118422990 1306368343 /nfs/dbraw/zinc/36/83/43/1306368343.db2.gz AGAFASKIVJDURM-KRWDZBQOSA-N 1 3 334.483 2.151 20 10 EECDHO CCC[N@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001118422990 1306368361 /nfs/dbraw/zinc/36/83/61/1306368361.db2.gz AGAFASKIVJDURM-KRWDZBQOSA-N 1 3 334.483 2.151 20 10 EECDHO COc1cc(CN2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139255660 1314722262 /nfs/dbraw/zinc/72/22/62/1314722262.db2.gz WWROAVPKEJQZOA-JLJPHGGASA-N 1 3 334.460 2.462 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@H]4C3)cc2)CC1 ZINC001140306765 1314863150 /nfs/dbraw/zinc/86/31/50/1314863150.db2.gz XAKRHGVGOAAGKM-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC[C@H]4C3)cc2)CC1 ZINC001140306765 1314863157 /nfs/dbraw/zinc/86/31/57/1314863157.db2.gz XAKRHGVGOAAGKM-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c1[O-] ZINC000841084624 1315471055 /nfs/dbraw/zinc/47/10/55/1315471055.db2.gz MBXRMDSUKQQDOP-JOYOIKCWSA-N 1 3 329.238 2.380 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CC23CCCC3)N(C)C)cc1 ZINC001263260294 1322448978 /nfs/dbraw/zinc/44/89/78/1322448978.db2.gz WXEDMZUNKIADNP-ROUUACIJSA-N 1 3 344.503 2.004 20 10 EECDHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)CN3CCCC3)C2)cc1C ZINC000999834693 795035716 /nfs/dbraw/zinc/03/57/16/795035716.db2.gz VBAVLYISDYGAFJ-UHFFFAOYSA-N 1 3 345.487 2.178 20 10 EECDHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000771844284 577233928 /nfs/dbraw/zinc/23/39/28/577233928.db2.gz YBUVGTFIKRAGBG-XLIONFOSSA-N 1 3 330.520 2.258 20 10 EECDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000771844284 577233930 /nfs/dbraw/zinc/23/39/30/577233930.db2.gz YBUVGTFIKRAGBG-XLIONFOSSA-N 1 3 330.520 2.258 20 10 EECDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@H](C)C1 ZINC000771844284 577233932 /nfs/dbraw/zinc/23/39/32/577233932.db2.gz YBUVGTFIKRAGBG-XLIONFOSSA-N 1 3 330.520 2.258 20 10 EECDHO CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001019032178 1228656169 /nfs/dbraw/zinc/65/61/69/1228656169.db2.gz KDFDTFODQMYDBT-DLBZAZTESA-N 1 3 333.476 2.034 20 10 EECDHO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(Cl)c([O-])cc1O ZINC001232267791 1304059420 /nfs/dbraw/zinc/05/94/20/1304059420.db2.gz MAABXIBDAPVBMD-UHFFFAOYSA-N 1 3 343.899 2.457 20 10 EECDHO CCC[N@H+]1C[C@H]2CN(Cc3ccc(N4CCN(C)CC4)cc3)C[C@H]2C1 ZINC001139410757 1314740816 /nfs/dbraw/zinc/74/08/16/1314740816.db2.gz CKMOYKFVTMADLM-BGYRXZFFSA-N 1 3 342.531 2.212 20 10 EECDHO CCC[N@@H+]1C[C@H]2CN(Cc3ccc(N4CCN(C)CC4)cc3)C[C@H]2C1 ZINC001139410757 1314740818 /nfs/dbraw/zinc/74/08/18/1314740818.db2.gz CKMOYKFVTMADLM-BGYRXZFFSA-N 1 3 342.531 2.212 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001140300885 1314859239 /nfs/dbraw/zinc/85/92/39/1314859239.db2.gz VVKNCVZHWAFPLK-GOSISDBHSA-N 1 3 345.487 2.214 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001140300885 1314859242 /nfs/dbraw/zinc/85/92/42/1314859242.db2.gz VVKNCVZHWAFPLK-GOSISDBHSA-N 1 3 345.487 2.214 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](C)[C@H](O)CC3)cc2)CC1 ZINC001140301967 1314860594 /nfs/dbraw/zinc/86/05/94/1314860594.db2.gz FZEYXCBFLOOYNX-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@H](O)CC3)cc2)CC1 ZINC001140301967 1314860597 /nfs/dbraw/zinc/86/05/97/1314860597.db2.gz FZEYXCBFLOOYNX-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(CN3CCC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC001140304667 1314862013 /nfs/dbraw/zinc/86/20/13/1314862013.db2.gz XVEDRNBELNRBNX-NRFANRHFSA-N 1 3 342.531 2.499 20 10 EECDHO CCN1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC001140304667 1314862021 /nfs/dbraw/zinc/86/20/21/1314862021.db2.gz XVEDRNBELNRBNX-NRFANRHFSA-N 1 3 342.531 2.499 20 10 EECDHO COc1cc(Br)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000841080831 1315469787 /nfs/dbraw/zinc/46/97/87/1315469787.db2.gz WEOFNWXQLAUUDL-ZDUSSCGKSA-N 1 3 341.249 2.395 20 10 EECDHO COc1ccc(C[NH2+]CCCNC(=O)C2(N(C)C)CCC2)cc1C ZINC001159860670 1320007321 /nfs/dbraw/zinc/00/73/21/1320007321.db2.gz BHASWVJOJBKLIX-UHFFFAOYSA-N 1 3 333.476 2.084 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC001341512373 1337294394 /nfs/dbraw/zinc/29/43/94/1337294394.db2.gz ANJWVZOULMPDLP-WMZOPIPTSA-N 1 3 332.492 2.004 20 10 EECDHO C[NH+](C)CCN1CC[N@H+](Cc2c([O-])ccc3ccccc32)CCC1=O ZINC001231591105 1303857965 /nfs/dbraw/zinc/85/79/65/1303857965.db2.gz SZJNVXHZJHJFJJ-UHFFFAOYSA-N 1 3 341.455 2.141 20 10 EECDHO C[NH+](C)CCN1CC[N@@H+](Cc2c([O-])ccc3ccccc32)CCC1=O ZINC001231591105 1303857972 /nfs/dbraw/zinc/85/79/72/1303857972.db2.gz SZJNVXHZJHJFJJ-UHFFFAOYSA-N 1 3 341.455 2.141 20 10 EECDHO COc1cc(Br)cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1[O-] ZINC000841037553 1315459850 /nfs/dbraw/zinc/45/98/50/1315459850.db2.gz VKVFKSPIUXTCAM-JTQLQIEISA-N 1 3 329.238 2.253 20 10 EECDHO CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001254083354 1317998464 /nfs/dbraw/zinc/99/84/64/1317998464.db2.gz VYMORSZOJJOLMD-UXHICEINSA-N 1 3 330.520 2.401 20 10 EECDHO CCN(CCC[NH+](C)C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323806156 1333543277 /nfs/dbraw/zinc/54/32/77/1333543277.db2.gz FJTKZFYTILHNFK-UHFFFAOYSA-N 1 3 336.499 2.351 20 10 EECDHO CC[N@H+](CCCN(C)C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323806156 1333543279 /nfs/dbraw/zinc/54/32/79/1333543279.db2.gz FJTKZFYTILHNFK-UHFFFAOYSA-N 1 3 336.499 2.351 20 10 EECDHO CC[N@@H+](CCCN(C)C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323806156 1333543282 /nfs/dbraw/zinc/54/32/82/1333543282.db2.gz FJTKZFYTILHNFK-UHFFFAOYSA-N 1 3 336.499 2.351 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN(C)C3CCC3)C2)cc1C ZINC001752733649 1406367493 /nfs/dbraw/zinc/36/74/93/1406367493.db2.gz VSJZQHGJDISMKS-CALCHBBNSA-N 1 3 345.487 2.225 20 10 EECDHO C[C@@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000817974031 785125530 /nfs/dbraw/zinc/12/55/30/785125530.db2.gz XKSDCTBOOIPGIE-CZUORRHYSA-N 1 3 344.425 2.239 20 10 EECDHO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000850027789 1277000442 /nfs/dbraw/zinc/00/04/42/1277000442.db2.gz INJXQPDKZIJTLH-SFHVURJKSA-N 1 3 330.520 2.402 20 10 EECDHO COc1cc(CN2CC[C@@]3(C2)CCCOC3)cc(C[NH+](C)C)c1O ZINC001139259148 1314722969 /nfs/dbraw/zinc/72/29/69/1314722969.db2.gz JUIJSQYCVBEMBK-LJQANCHMSA-N 1 3 334.460 2.465 20 10 EECDHO Oc1ccccc1CN1CCC([NH2+][C@H]2CC3CCN(CC3)C2)CC1 ZINC001254842969 1318202580 /nfs/dbraw/zinc/20/25/80/1318202580.db2.gz CUANNDMOFZGVHQ-IBGZPJMESA-N 1 3 329.488 2.431 20 10 EECDHO C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000817974137 785125539 /nfs/dbraw/zinc/12/55/39/785125539.db2.gz ZHCZDBAANRELSA-HZMBPMFUSA-N 1 3 335.345 2.018 20 10 EECDHO CN(Cc1ccc(N2CCN(C)CC2)cc1F)C1CC[NH+](C)CC1 ZINC001236933077 1305735041 /nfs/dbraw/zinc/73/50/41/1305735041.db2.gz UOVHENLXCQBOMC-UHFFFAOYSA-N 1 3 334.483 2.104 20 10 EECDHO CN1CCCc2cc(CN3[C@@H]4CC[C@H]3CN(CC[NH+](C)C)C4)ccc21 ZINC001276580608 1324632693 /nfs/dbraw/zinc/63/26/93/1324632693.db2.gz MWVZGLSDJSAGOS-BGYRXZFFSA-N 1 3 342.531 2.279 20 10 EECDHO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852280 1334727324 /nfs/dbraw/zinc/72/73/24/1334727324.db2.gz YLJSKHCLALJORW-LPHOPBHVSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852280 1334727329 /nfs/dbraw/zinc/72/73/29/1334727329.db2.gz YLJSKHCLALJORW-LPHOPBHVSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852280 1334727335 /nfs/dbraw/zinc/72/73/35/1334727335.db2.gz YLJSKHCLALJORW-LPHOPBHVSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852280 1334727337 /nfs/dbraw/zinc/72/73/37/1334727337.db2.gz YLJSKHCLALJORW-LPHOPBHVSA-N 1 3 348.510 2.350 20 10 EECDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817888815 785024219 /nfs/dbraw/zinc/02/42/19/785024219.db2.gz PBXKMEFHSTYOTN-BMGDILEWSA-N 1 3 335.517 2.082 20 10 EECDHO Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)c1[O-] ZINC000817944977 785094720 /nfs/dbraw/zinc/09/47/20/785094720.db2.gz QOWSGTLXOBPSFP-LBPRGKRZSA-N 1 3 342.281 2.019 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](F)CC3)cc2)CC1 ZINC001140302173 1314860762 /nfs/dbraw/zinc/86/07/62/1314860762.db2.gz LRDJMMKRZYUVEF-RBUKOAKNSA-N 1 3 335.467 2.123 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](F)CC3)cc2)CC1 ZINC001140302173 1314860767 /nfs/dbraw/zinc/86/07/67/1314860767.db2.gz LRDJMMKRZYUVEF-RBUKOAKNSA-N 1 3 335.467 2.123 20 10 EECDHO Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c([O-])c1 ZINC000840829957 1315418998 /nfs/dbraw/zinc/41/89/98/1315418998.db2.gz AADADYAZFQJHKG-QGZVFWFLSA-N 1 3 347.503 2.148 20 10 EECDHO CCN(CC)c1ccc(CN2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843121239 1315848151 /nfs/dbraw/zinc/84/81/51/1315848151.db2.gz HCRFHUXXMFFFKW-KRWDZBQOSA-N 1 3 334.483 2.151 20 10 EECDHO CN1CCN(c2ccc(C[NH2+][C@H]3CC4CCN(CC4)C3)cc2)CC1 ZINC001254836352 1318201605 /nfs/dbraw/zinc/20/16/05/1318201605.db2.gz LEZGVXYHOOHDDO-IBGZPJMESA-N 1 3 328.504 2.012 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC001341512372 1337294560 /nfs/dbraw/zinc/29/45/60/1337294560.db2.gz ANJWVZOULMPDLP-FUHWJXTLSA-N 1 3 332.492 2.004 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001022712311 678299303 /nfs/dbraw/zinc/29/93/03/678299303.db2.gz OVAPGRLCBTYWSR-NXHRZFHOSA-N 1 3 345.487 2.225 20 10 EECDHO C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000850027788 1277000919 /nfs/dbraw/zinc/00/09/19/1277000919.db2.gz INJXQPDKZIJTLH-GOSISDBHSA-N 1 3 330.520 2.402 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001020586476 675218302 /nfs/dbraw/zinc/21/83/02/675218302.db2.gz OVAPGRLCBTYWSR-SZMVWBNQSA-N 1 3 345.487 2.225 20 10 EECDHO CN(C)c1cc(F)c(CN(C)CCCN(C)CC[NH+](C)C)cc1F ZINC000862369304 1295810638 /nfs/dbraw/zinc/81/06/38/1295810638.db2.gz RWJRXXONWSMZJX-UHFFFAOYSA-N 1 3 342.478 2.346 20 10 EECDHO CCC[NH+]1C[C@H]2CN(Cc3ccc(N4CCN(C)CC4)cc3)C[C@@H]2C1 ZINC001139410758 1314741014 /nfs/dbraw/zinc/74/10/14/1314741014.db2.gz CKMOYKFVTMADLM-PMACEKPBSA-N 1 3 342.531 2.212 20 10 EECDHO CC(C)[NH+]1CCC(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000839563763 1315215468 /nfs/dbraw/zinc/21/54/68/1315215468.db2.gz NRQZDCJRLXPPBW-INIZCTEOSA-N 1 3 346.519 2.392 20 10 EECDHO COc1ccc(C[NH2+]CCCNC(=O)CN2CCC(C)(C)C2)cc1C ZINC001166764411 1321784035 /nfs/dbraw/zinc/78/40/35/1321784035.db2.gz BDXCVKLYAAEMPF-UHFFFAOYSA-N 1 3 347.503 2.331 20 10 EECDHO c1ccc(N2CCN(Cc3ccc(N4CC[NH2+]CC4)cc3)CC2)cc1 ZINC001204598569 1322193243 /nfs/dbraw/zinc/19/32/43/1322193243.db2.gz LPWUBTFTZFCCPI-UHFFFAOYSA-N 1 3 336.483 2.418 20 10 EECDHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)Cc3c[nH]cn3)C2)cc1C ZINC000999472706 794516412 /nfs/dbraw/zinc/51/64/12/794516412.db2.gz JTYATRUWFVWTFQ-UHFFFAOYSA-N 1 3 342.443 2.048 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC000968912901 1221664089 /nfs/dbraw/zinc/66/40/89/1221664089.db2.gz WSOLICPRFQNTTR-MJGOQNOKSA-N 1 3 345.487 2.034 20 10 EECDHO CCN1CCN(c2ccc(CN3CC[NH2+][C@H](C(C)C)C3)cc2)CC1 ZINC001235471814 1305245288 /nfs/dbraw/zinc/24/52/88/1305245288.db2.gz OUIYQFIRLBIQPG-FQEVSTJZSA-N 1 3 330.520 2.258 20 10 EECDHO CN1CC2(C1)CC[NH+](Cc1ccc(N3CCC(O)CC3)cc1)CC2 ZINC001140288107 1314854456 /nfs/dbraw/zinc/85/44/56/1314854456.db2.gz NCJQQLREKRJWGD-UHFFFAOYSA-N 1 3 329.488 2.175 20 10 EECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001157435084 1318638283 /nfs/dbraw/zinc/63/82/83/1318638283.db2.gz RGRDMVBKZCDFOY-FUHWJXTLSA-N 1 3 345.487 2.076 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@](O)(C[NH3+])CC3)ccc2O1 ZINC001205256108 1322332791 /nfs/dbraw/zinc/33/27/91/1322332791.db2.gz NFXCRWPDKQMQFM-LJQANCHMSA-N 1 3 332.444 2.252 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)ccc2O1 ZINC001205256108 1322332798 /nfs/dbraw/zinc/33/27/98/1322332798.db2.gz NFXCRWPDKQMQFM-LJQANCHMSA-N 1 3 332.444 2.252 20 10 EECDHO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326221826 1334046176 /nfs/dbraw/zinc/04/61/76/1334046176.db2.gz KENPOFIMTAFQQV-DOTOQJQBSA-N 1 3 334.483 2.137 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)CC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000891247191 676241514 /nfs/dbraw/zinc/24/15/14/676241514.db2.gz GVGPETCXJUNYRF-LJQANCHMSA-N 1 3 346.519 2.203 20 10 EECDHO CCN1CCN(c2ccc(C[NH2+]Cc3cnc(C)n3C)cc2F)CC1 ZINC000850126909 1277048299 /nfs/dbraw/zinc/04/82/99/1277048299.db2.gz RYGYVGMJPSPKHS-UHFFFAOYSA-N 1 3 345.466 2.299 20 10 EECDHO CCOC(=O)[C@@]12C[N@H+](Cc3c(C)cc(C)cc3O)C[C@@H]1CNCCC2 ZINC001222136315 1299379904 /nfs/dbraw/zinc/37/99/04/1299379904.db2.gz QSIZYUWJOGQINH-JXFKEZNVSA-N 1 3 346.471 2.374 20 10 EECDHO CCOC(=O)[C@@]12C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@@H]1CNCCC2 ZINC001222136315 1299379919 /nfs/dbraw/zinc/37/99/19/1299379919.db2.gz QSIZYUWJOGQINH-JXFKEZNVSA-N 1 3 346.471 2.374 20 10 EECDHO [NH3+][C@H](c1ccccc1[O-])[C@H](NC1CC[NH2+]CC1)c1ccccc1O ZINC001246346698 1310284791 /nfs/dbraw/zinc/28/47/91/1310284791.db2.gz YUPVTGPMAZJEHX-RTBURBONSA-N 1 3 327.428 2.181 20 10 EECDHO CCCC[NH+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC001139408879 1314740024 /nfs/dbraw/zinc/74/00/24/1314740024.db2.gz GPHBJNPZGPXKIA-UHFFFAOYSA-N 1 3 330.520 2.356 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)[C@H](C)C3)cc2)CC1 ZINC001140302508 1314861210 /nfs/dbraw/zinc/86/12/10/1314861210.db2.gz SOXIDFLKWNEFOH-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)[C@H](C)C3)cc2)CC1 ZINC001140302508 1314861214 /nfs/dbraw/zinc/86/12/14/1314861214.db2.gz SOXIDFLKWNEFOH-YLJYHZDGSA-N 1 3 331.504 2.421 20 10 EECDHO CCN(CC)c1ccc(CN2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843121736 1315848128 /nfs/dbraw/zinc/84/81/28/1315848128.db2.gz JITBRHWCEGYXMD-LJQANCHMSA-N 1 3 346.519 2.352 20 10 EECDHO CCN1C[C@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140288834 1372557587 /nfs/dbraw/zinc/55/75/87/1372557587.db2.gz VRWQGBIZKYXPSF-ROUUACIJSA-N 1 3 329.488 2.031 20 10 EECDHO COc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1O ZINC000771827479 577233003 /nfs/dbraw/zinc/23/30/03/577233003.db2.gz KAEHVMJYDUJXQA-UHFFFAOYSA-N 1 3 341.455 2.442 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000775714148 577443533 /nfs/dbraw/zinc/44/35/33/577443533.db2.gz MWFHMXRWRDQNQU-FQEVSTJZSA-N 1 3 342.531 2.356 20 10 EECDHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255989 676251954 /nfs/dbraw/zinc/25/19/54/676251954.db2.gz UPZKILPYJMPZHP-RTBURBONSA-N 1 3 346.519 2.346 20 10 EECDHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255989 676251955 /nfs/dbraw/zinc/25/19/55/676251955.db2.gz UPZKILPYJMPZHP-RTBURBONSA-N 1 3 346.519 2.346 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cc1C ZINC000987070720 689307261 /nfs/dbraw/zinc/30/72/61/689307261.db2.gz SKFGQTWOTNVNSI-PBHICJAKSA-N 1 3 342.443 2.048 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C)cc1C ZINC000987070728 689307502 /nfs/dbraw/zinc/30/75/02/689307502.db2.gz SKFGQTWOTNVNSI-RHSMWYFYSA-N 1 3 342.443 2.048 20 10 EECDHO COc1cc(Br)cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c1[O-] ZINC000904406724 694385166 /nfs/dbraw/zinc/38/51/66/694385166.db2.gz UZPWMQZNDPVOFR-JTQLQIEISA-N 1 3 329.238 2.334 20 10 EECDHO COc1cc(Br)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)c1[O-] ZINC000904406724 694385169 /nfs/dbraw/zinc/38/51/69/694385169.db2.gz UZPWMQZNDPVOFR-JTQLQIEISA-N 1 3 329.238 2.334 20 10 EECDHO CCN(C)c1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000127999531 693099030 /nfs/dbraw/zinc/09/90/30/693099030.db2.gz ZXAYANKZORSOEC-AEFFLSMTSA-N 1 3 346.519 2.381 20 10 EECDHO CCN(C)c1ccc([C@@H](C)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000127999531 693099032 /nfs/dbraw/zinc/09/90/32/693099032.db2.gz ZXAYANKZORSOEC-AEFFLSMTSA-N 1 3 346.519 2.381 20 10 EECDHO Oc1ccc(CN2CCC3(CC[N@H+](Cc4cn[nH]c4)C3)CC2)cc1O ZINC001275820968 1205549853 /nfs/dbraw/zinc/54/98/53/1205549853.db2.gz CKYSEXBKRPZXAD-UHFFFAOYSA-N 1 3 342.443 2.309 20 10 EECDHO Oc1ccc(CN2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)cc1O ZINC001275820968 1205549854 /nfs/dbraw/zinc/54/98/54/1205549854.db2.gz CKYSEXBKRPZXAD-UHFFFAOYSA-N 1 3 342.443 2.309 20 10 EECDHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001045089098 1233495119 /nfs/dbraw/zinc/49/51/19/1233495119.db2.gz AHTZQKNNUPTRTK-ZWKOTPCHSA-N 1 3 347.503 2.424 20 10 EECDHO C[NH+](C)CCN(CC[NH+](C)C)Cc1c([O-])cccc1Br ZINC000862367323 1295810711 /nfs/dbraw/zinc/81/07/11/1295810711.db2.gz DRWGVFZLNAEWCM-UHFFFAOYSA-N 1 3 344.297 2.080 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](O)[C@H](C)C3)cc2)CC1 ZINC001140302500 1314861447 /nfs/dbraw/zinc/86/14/47/1314861447.db2.gz SJSIJYIYIXGQLI-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](O)[C@H](C)C3)cc2)CC1 ZINC001140302500 1314861451 /nfs/dbraw/zinc/86/14/51/1314861451.db2.gz SJSIJYIYIXGQLI-XLIONFOSSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)[C@@H](C)C3)cc2)CC1 ZINC001140302504 1314861664 /nfs/dbraw/zinc/86/16/64/1314861664.db2.gz SOXIDFLKWNEFOH-FXAWDEMLSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)[C@@H](C)C3)cc2)CC1 ZINC001140302504 1314861669 /nfs/dbraw/zinc/86/16/69/1314861669.db2.gz SOXIDFLKWNEFOH-FXAWDEMLSA-N 1 3 331.504 2.421 20 10 EECDHO CN1CCN(c2ccc(CNC3(C[NH+](C)C)CCC3)cc2F)CC1 ZINC001322569016 1333285340 /nfs/dbraw/zinc/28/53/40/1333285340.db2.gz AXURVBBIWXUDPL-UHFFFAOYSA-N 1 3 334.483 2.151 20 10 EECDHO CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000809732031 783313927 /nfs/dbraw/zinc/31/39/27/783313927.db2.gz AOVAGBDXPUUYQV-UHFFFAOYSA-N 1 3 347.503 2.452 20 10 EECDHO C[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000817899958 785055767 /nfs/dbraw/zinc/05/57/67/785055767.db2.gz NRAMNLUEOLVWBB-JSGCOSHPSA-N 1 3 325.403 2.454 20 10 EECDHO COc1ccc(N2CCN(CC3CC[NH+](C)CC3)CC2)c(OC)c1 ZINC000895816224 684735054 /nfs/dbraw/zinc/73/50/54/684735054.db2.gz BXZFAHKEWXKAPW-UHFFFAOYSA-N 1 3 333.476 2.168 20 10 EECDHO CCN(CC)CC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100771116 1259242155 /nfs/dbraw/zinc/24/21/55/1259242155.db2.gz YURROGIKAWWKCC-UHFFFAOYSA-N 1 3 347.503 2.330 20 10 EECDHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216001716 1297033766 /nfs/dbraw/zinc/03/37/66/1297033766.db2.gz INXYMUZKISSAFV-SJLPKXTDSA-N 1 3 347.503 2.282 20 10 EECDHO COc1ccc2ccc([O-])c(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)c2c1 ZINC001222099822 1299353395 /nfs/dbraw/zinc/35/33/95/1299353395.db2.gz MEKPPSMZJAAYDC-UHFFFAOYSA-N 1 3 341.455 2.081 20 10 EECDHO COc1ccc2ccc([O-])c(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)c2c1 ZINC001222099822 1299353409 /nfs/dbraw/zinc/35/34/09/1299353409.db2.gz MEKPPSMZJAAYDC-UHFFFAOYSA-N 1 3 341.455 2.081 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC001122413956 1310277569 /nfs/dbraw/zinc/27/75/69/1310277569.db2.gz GZULDLCYFBRHRL-ROUUACIJSA-N 1 3 332.492 2.004 20 10 EECDHO CN1CCN(c2ccc(CN[C@H](C[NH3+])C3CCCC3)cc2F)CC1 ZINC001325321774 1333863507 /nfs/dbraw/zinc/86/35/07/1333863507.db2.gz ZOEQHKBTIQFVJG-GOSISDBHSA-N 1 3 334.483 2.185 20 10 EECDHO CN1CCN(c2ccc(C[NH2+][C@H](CN)C3CCCC3)cc2F)CC1 ZINC001325321774 1333863510 /nfs/dbraw/zinc/86/35/10/1333863510.db2.gz ZOEQHKBTIQFVJG-GOSISDBHSA-N 1 3 334.483 2.185 20 10 EECDHO CCOc1ccc(O)c(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000289466108 464080650 /nfs/dbraw/zinc/08/06/50/464080650.db2.gz OWSKZPBKGWJJDG-UHFFFAOYSA-N 1 3 335.492 2.249 20 10 EECDHO CCOc1ccc(O)c(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000289466108 464080656 /nfs/dbraw/zinc/08/06/56/464080656.db2.gz OWSKZPBKGWJJDG-UHFFFAOYSA-N 1 3 335.492 2.249 20 10 EECDHO C[NH+](C)CCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618204 1190933501 /nfs/dbraw/zinc/93/35/01/1190933501.db2.gz CMDDVYQFGSWZAG-UHFFFAOYSA-N 1 3 345.487 2.158 20 10 EECDHO Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)ccc1N(C)C ZINC001275360818 1205320569 /nfs/dbraw/zinc/32/05/69/1205320569.db2.gz KLHDKOOSJMBOGN-KDURUIRLSA-N 1 3 330.520 2.271 20 10 EECDHO Oc1ccc(C[NH+]2CCC3(CCN(Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001275952951 1205601429 /nfs/dbraw/zinc/60/14/29/1205601429.db2.gz PYYXHSSVFVYXNF-UHFFFAOYSA-N 1 3 342.443 2.309 20 10 EECDHO Oc1ccc(CN2CCC(COCC[NH+]3CCCC3)CC2)cc1O ZINC001203875799 1321980017 /nfs/dbraw/zinc/98/00/17/1321980017.db2.gz VTGBMNOMICGMBH-UHFFFAOYSA-N 1 3 334.460 2.422 20 10 EECDHO CN1CCN(c2ccc(CNC[C@H]([NH3+])c3ccccc3)cc2F)CC1 ZINC001328677091 1334497232 /nfs/dbraw/zinc/49/72/32/1334497232.db2.gz JSMXIXBHNNHBOP-IBGZPJMESA-N 1 3 342.462 2.367 20 10 EECDHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846144336 790074083 /nfs/dbraw/zinc/07/40/83/790074083.db2.gz IVGZHQLPVLFMBX-CVEARBPZSA-N 1 3 335.492 2.325 20 10 EECDHO CCOCc1cc(C[NH2+]CCN2CCN(C)C(C)(C)C2)ccc1OC ZINC000282276019 464760250 /nfs/dbraw/zinc/76/02/50/464760250.db2.gz HVNYUYYRJKZMTG-UHFFFAOYSA-N 1 3 349.519 2.347 20 10 EECDHO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374254138 467035027 /nfs/dbraw/zinc/03/50/27/467035027.db2.gz LBHQIOYJWUWOKZ-XLIONFOSSA-N 1 3 330.520 2.210 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC000775669191 577442282 /nfs/dbraw/zinc/44/22/82/577442282.db2.gz UKFMTBDSNNOOOB-FQEVSTJZSA-N 1 3 328.504 2.109 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCN3C)[C@H]2C)cc1C ZINC001074565190 1257072859 /nfs/dbraw/zinc/07/28/59/1257072859.db2.gz YFEPNXQSIWWQTJ-RYQLBKOJSA-N 1 3 345.487 2.177 20 10 EECDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850565836 1277268240 /nfs/dbraw/zinc/26/82/40/1277268240.db2.gz IDYUBUSBAKBMQG-UZLBHIALSA-N 1 3 331.504 2.468 20 10 EECDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850565836 1277268250 /nfs/dbraw/zinc/26/82/50/1277268250.db2.gz IDYUBUSBAKBMQG-UZLBHIALSA-N 1 3 331.504 2.468 20 10 EECDHO [NH3+][C@H](CC(=O)Nc1ccc([C@@H]2CC[NH2+]C2)cc1)c1ccccc1[O-] ZINC001218996722 1297900826 /nfs/dbraw/zinc/90/08/26/1297900826.db2.gz NIKYZFURVXHONB-RHSMWYFYSA-N 1 3 325.412 2.498 20 10 EECDHO COC(=O)c1c(CN2CCC3(C[NH+](C)C3)CC2)c2ccccc2n1C ZINC001232404692 1304108686 /nfs/dbraw/zinc/10/86/86/1304108686.db2.gz XFYWNWYHNWRGSL-UHFFFAOYSA-N 1 3 341.455 2.493 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302498 1314861028 /nfs/dbraw/zinc/86/10/28/1314861028.db2.gz SJSIJYIYIXGQLI-FXAWDEMLSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302498 1314861036 /nfs/dbraw/zinc/86/10/36/1314861036.db2.gz SJSIJYIYIXGQLI-FXAWDEMLSA-N 1 3 331.504 2.421 20 10 EECDHO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043299 530058813 /nfs/dbraw/zinc/05/88/13/530058813.db2.gz NCUNLNFCWDHHLC-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043299 530058814 /nfs/dbraw/zinc/05/88/14/530058814.db2.gz NCUNLNFCWDHHLC-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043299 530058815 /nfs/dbraw/zinc/05/88/15/530058815.db2.gz NCUNLNFCWDHHLC-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043299 530058816 /nfs/dbraw/zinc/05/88/16/530058816.db2.gz NCUNLNFCWDHHLC-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000771844279 577233803 /nfs/dbraw/zinc/23/38/03/577233803.db2.gz YBUVGTFIKRAGBG-FXAWDEMLSA-N 1 3 330.520 2.258 20 10 EECDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000771844279 577233804 /nfs/dbraw/zinc/23/38/04/577233804.db2.gz YBUVGTFIKRAGBG-FXAWDEMLSA-N 1 3 330.520 2.258 20 10 EECDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCN(C)CC3)cc2)[C@@H](C)C1 ZINC000771844279 577233806 /nfs/dbraw/zinc/23/38/06/577233806.db2.gz YBUVGTFIKRAGBG-FXAWDEMLSA-N 1 3 330.520 2.258 20 10 EECDHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C ZINC000990275971 692802508 /nfs/dbraw/zinc/80/25/08/692802508.db2.gz GEVORUAJPFIOAD-SFHVURJKSA-N 1 3 345.487 2.178 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H](C3CC3)N(C)C)C2)cc1C ZINC001018966897 1228585239 /nfs/dbraw/zinc/58/52/39/1228585239.db2.gz WSOLICPRFQNTTR-HKUYNNGSSA-N 1 3 345.487 2.034 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@](C)(C(=O)OC)C3)cc2)CC1 ZINC001140309367 1314865154 /nfs/dbraw/zinc/86/51/54/1314865154.db2.gz CYUQZEYSBGIEIQ-FQEVSTJZSA-N 1 3 345.487 2.214 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@](C)(C(=O)OC)C3)cc2)CC1 ZINC001140309367 1314865156 /nfs/dbraw/zinc/86/51/56/1314865156.db2.gz CYUQZEYSBGIEIQ-FQEVSTJZSA-N 1 3 345.487 2.214 20 10 EECDHO CCCN1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676230 1334141532 /nfs/dbraw/zinc/14/15/32/1334141532.db2.gz PYGJJRWESMRIGL-MSOLQXFVSA-N 1 3 332.492 2.133 20 10 EECDHO CCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)c(O)c1 ZINC000282194190 464729806 /nfs/dbraw/zinc/72/98/06/464729806.db2.gz CCZTUCRWHBUPHC-UHFFFAOYSA-N 1 3 335.492 2.297 20 10 EECDHO C[C@@H]1C[N@H+](CCCNCc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000762482920 577701962 /nfs/dbraw/zinc/70/19/62/577701962.db2.gz NIJCZOZPNNLFBR-GOSISDBHSA-N 1 3 347.503 2.114 20 10 EECDHO C[C@@H]1C[N@@H+](CCCNCc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000762482920 577701963 /nfs/dbraw/zinc/70/19/63/577701963.db2.gz NIJCZOZPNNLFBR-GOSISDBHSA-N 1 3 347.503 2.114 20 10 EECDHO C[N@H+](CCOCC[NH3+])Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000863650877 1296365535 /nfs/dbraw/zinc/36/55/35/1296365535.db2.gz DLTWZRWZWCSXAM-UHFFFAOYSA-N 1 3 330.428 2.378 20 10 EECDHO C[N@@H+](CCOCC[NH3+])Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000863650877 1296365546 /nfs/dbraw/zinc/36/55/46/1296365546.db2.gz DLTWZRWZWCSXAM-UHFFFAOYSA-N 1 3 330.428 2.378 20 10 EECDHO CCCN(Cc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC001236322818 1305560780 /nfs/dbraw/zinc/56/07/80/1305560780.db2.gz CGNTZNPUXYYZDO-FQEVSTJZSA-N 1 3 330.520 2.402 20 10 EECDHO CCN1CCN(c2ccc(C[NH+]3CCC(C(=O)OC)CC3)cc2)CC1 ZINC001140302198 1314860137 /nfs/dbraw/zinc/86/01/37/1314860137.db2.gz MUHDTPQCGMGGDW-UHFFFAOYSA-N 1 3 345.487 2.214 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+](C)CCC3OCCO3)cc2)CC1 ZINC001140306009 1314863010 /nfs/dbraw/zinc/86/30/10/1314863010.db2.gz KGIBAGGPJQNJKL-UHFFFAOYSA-N 1 3 333.476 2.023 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+](C)CCC3OCCO3)cc2)CC1 ZINC001140306009 1314863015 /nfs/dbraw/zinc/86/30/15/1314863015.db2.gz KGIBAGGPJQNJKL-UHFFFAOYSA-N 1 3 333.476 2.023 20 10 EECDHO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]21 ZINC000843060242 1315832646 /nfs/dbraw/zinc/83/26/46/1315832646.db2.gz YYHMFBWVUUSZQV-SOLBZPMBSA-N 1 3 333.451 2.222 20 10 EECDHO [NH3+]CCN1CCN(Cc2cc(-c3ccc(F)cc3)ccc2O)CC1 ZINC001210029347 1325133127 /nfs/dbraw/zinc/13/31/27/1325133127.db2.gz UVOIYCXSIZAFAR-UHFFFAOYSA-N 1 3 329.419 2.275 20 10 EECDHO C[C@H]1CC[N@H+](CCNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001318805649 1332601342 /nfs/dbraw/zinc/60/13/42/1332601342.db2.gz PJIJKRXPPGBWNW-INIZCTEOSA-N 1 3 334.483 2.009 20 10 EECDHO C[C@H]1CC[N@@H+](CCNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001318805649 1332601345 /nfs/dbraw/zinc/60/13/45/1332601345.db2.gz PJIJKRXPPGBWNW-INIZCTEOSA-N 1 3 334.483 2.009 20 10 EECDHO O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000289960474 464102846 /nfs/dbraw/zinc/10/28/46/464102846.db2.gz YIGDUNGRSZYNOR-UHFFFAOYSA-N 1 3 345.487 2.206 20 10 EECDHO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775648019 577441778 /nfs/dbraw/zinc/44/17/78/577441778.db2.gz MOUDSFICPGZKGL-HXUWFJFHSA-N 1 3 330.520 2.355 20 10 EECDHO COc1cccc([O-])c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000769506674 577579342 /nfs/dbraw/zinc/57/93/42/577579342.db2.gz UXODZENUOOUGHB-UHFFFAOYSA-N 1 3 334.460 2.478 20 10 EECDHO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CN1C1CC1 ZINC000883283513 1202040343 /nfs/dbraw/zinc/04/03/43/1202040343.db2.gz IIQFCABADNPYPQ-AEFFLSMTSA-N 1 3 328.504 2.153 20 10 EECDHO [O-]c1cccc2c1C[N@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001236072034 1305490756 /nfs/dbraw/zinc/49/07/56/1305490756.db2.gz CVZVOPAEGFYYRT-UHFFFAOYSA-N 1 3 337.467 2.356 20 10 EECDHO [O-]c1cccc2c1C[N@@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001236072034 1305490766 /nfs/dbraw/zinc/49/07/66/1305490766.db2.gz CVZVOPAEGFYYRT-UHFFFAOYSA-N 1 3 337.467 2.356 20 10 EECDHO CN1CCN(c2ccc(CN3CCC([NH+]4CCC4)CC3)cc2)CC1 ZINC001139411711 1314740639 /nfs/dbraw/zinc/74/06/39/1314740639.db2.gz ZWSHIUJDLNYBEB-UHFFFAOYSA-N 1 3 328.504 2.109 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H]4OCC[C@@H]4C3)cc2)CC1 ZINC001140306767 1314863400 /nfs/dbraw/zinc/86/34/00/1314863400.db2.gz XAKRHGVGOAAGKM-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)cc2)CC1 ZINC001140306767 1314863404 /nfs/dbraw/zinc/86/34/04/1314863404.db2.gz XAKRHGVGOAAGKM-UYAOXDASSA-N 1 3 329.488 2.439 20 10 EECDHO Fc1cc(CN2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1N1CCOCC1 ZINC000843126986 794702001 /nfs/dbraw/zinc/70/20/01/794702001.db2.gz NPWMYRCKNNXHNA-GOSISDBHSA-N 1 3 347.478 2.484 20 10 EECDHO C[NH+](C)CCN1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619499 1190933841 /nfs/dbraw/zinc/93/38/41/1190933841.db2.gz WLXOOGAEFKTXEK-FQEVSTJZSA-N 1 3 345.487 2.158 20 10 EECDHO C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619499 1190933843 /nfs/dbraw/zinc/93/38/43/1190933843.db2.gz WLXOOGAEFKTXEK-FQEVSTJZSA-N 1 3 345.487 2.158 20 10 EECDHO CN1CCN(c2ccc(CN3CCCC[C@@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206640331 1323552846 /nfs/dbraw/zinc/55/28/46/1323552846.db2.gz IUKOGADDPPMHCW-INIZCTEOSA-N 1 3 334.483 2.138 20 10 EECDHO CN1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3N)cc2)CC1 ZINC000883283656 1202040528 /nfs/dbraw/zinc/04/05/28/1202040528.db2.gz NKMFXZNNBLKGHH-UHFFFAOYSA-N 1 3 328.435 2.450 20 10 EECDHO Oc1ccccc1C[NH+]1CCC2(CN(CCn3ccnc3)C2)CC1 ZINC001275266728 1205293890 /nfs/dbraw/zinc/29/38/90/1205293890.db2.gz DGSKTMZNLYVXNM-UHFFFAOYSA-N 1 3 326.444 2.187 20 10 EECDHO [O-]c1ccccc1C[N@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275267632 1205294705 /nfs/dbraw/zinc/29/47/05/1205294705.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 1 3 340.471 2.433 20 10 EECDHO [O-]c1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275267632 1205294707 /nfs/dbraw/zinc/29/47/07/1205294707.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 1 3 340.471 2.433 20 10 EECDHO [O-]c1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275267632 1205294708 /nfs/dbraw/zinc/29/47/08/1205294708.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 1 3 340.471 2.433 20 10 EECDHO [O-]c1ccccc1C[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275267632 1205294710 /nfs/dbraw/zinc/29/47/10/1205294710.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 1 3 340.471 2.433 20 10 EECDHO C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc3ccccc3cc1[O-])C2 ZINC001276813324 1298404411 /nfs/dbraw/zinc/40/44/11/1298404411.db2.gz OBBUVHZBYHQTSB-UHFFFAOYSA-N 1 3 325.456 2.225 20 10 EECDHO COC(=O)Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c([O-])c1 ZINC001249207871 1317023003 /nfs/dbraw/zinc/02/30/03/1317023003.db2.gz LAZNUMLORORNGP-UHFFFAOYSA-N 1 3 332.444 2.025 20 10 EECDHO COC(=O)Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c([O-])c1 ZINC001249207871 1317023009 /nfs/dbraw/zinc/02/30/09/1317023009.db2.gz LAZNUMLORORNGP-UHFFFAOYSA-N 1 3 332.444 2.025 20 10 EECDHO COC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203560895 1321912339 /nfs/dbraw/zinc/91/23/39/1321912339.db2.gz JVTOXGCATFTQSZ-MRXNPFEDSA-N 1 3 332.444 2.242 20 10 EECDHO COc1cc(Cl)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1[O-] ZINC000273807451 464724886 /nfs/dbraw/zinc/72/48/86/464724886.db2.gz YFLVLBBREKETMF-UHFFFAOYSA-N 1 3 342.867 2.379 20 10 EECDHO COc1cccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000377623811 467099503 /nfs/dbraw/zinc/09/95/03/467099503.db2.gz IKLGIGBMULMLJL-KRWDZBQOSA-N 1 3 333.476 2.001 20 10 EECDHO COc1cccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1O ZINC000377623811 467099506 /nfs/dbraw/zinc/09/95/06/467099506.db2.gz IKLGIGBMULMLJL-KRWDZBQOSA-N 1 3 333.476 2.001 20 10 EECDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@@H+]1C ZINC000891248524 676242860 /nfs/dbraw/zinc/24/28/60/676242860.db2.gz XZMRMUZWNVAHEM-OTWHNJEPSA-N 1 3 346.519 2.202 20 10 EECDHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@H+]1C ZINC000891248524 676242861 /nfs/dbraw/zinc/24/28/61/676242861.db2.gz XZMRMUZWNVAHEM-OTWHNJEPSA-N 1 3 346.519 2.202 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C(C)C)N(C)C)C2)cc1C ZINC001019342703 1229010355 /nfs/dbraw/zinc/01/03/55/1229010355.db2.gz CPOUUNFPKDHHGP-PKOBYXMFSA-N 1 3 347.503 2.280 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@@H](C)C3)C2)cc1C ZINC001019383151 1229054257 /nfs/dbraw/zinc/05/42/57/1229054257.db2.gz XOJCFUBKSRPLBF-QAPCUYQASA-N 1 3 345.487 2.036 20 10 EECDHO CN1CCN(c2ccc(CN3CCC[C@@](C)([NH3+])CC3)c(F)c2)CC1 ZINC001205289068 1322343279 /nfs/dbraw/zinc/34/32/79/1322343279.db2.gz SFAGDIDZTNQVAI-LJQANCHMSA-N 1 3 334.483 2.281 20 10 EECDHO C[C@H]1CCCN(CC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001308199735 1331572387 /nfs/dbraw/zinc/57/23/87/1331572387.db2.gz ONBJKSSSXMKKJY-SFHVURJKSA-N 1 3 330.520 2.260 20 10 EECDHO NCc1cn([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001328681550 1334497692 /nfs/dbraw/zinc/49/76/92/1334497692.db2.gz OCOJEWVARHRUGA-IBGZPJMESA-N 1 3 340.475 2.174 20 10 EECDHO NCc1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001328681550 1334497695 /nfs/dbraw/zinc/49/76/95/1334497695.db2.gz OCOJEWVARHRUGA-IBGZPJMESA-N 1 3 340.475 2.174 20 10 EECDHO CCOc1cccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)c1O ZINC000289181621 464070449 /nfs/dbraw/zinc/07/04/49/464070449.db2.gz AOGZUQDVCMJHLB-UHFFFAOYSA-N 1 3 335.492 2.249 20 10 EECDHO CCOc1cccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c1O ZINC000289181621 464070450 /nfs/dbraw/zinc/07/04/50/464070450.db2.gz AOGZUQDVCMJHLB-UHFFFAOYSA-N 1 3 335.492 2.249 20 10 EECDHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000771818397 577232439 /nfs/dbraw/zinc/23/24/39/577232439.db2.gz KDQFMKCMHHWJBB-IBGZPJMESA-N 1 3 330.520 2.258 20 10 EECDHO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000771818397 577232441 /nfs/dbraw/zinc/23/24/41/577232441.db2.gz KDQFMKCMHHWJBB-IBGZPJMESA-N 1 3 330.520 2.258 20 10 EECDHO C[C@@H](NC1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000765886431 577508655 /nfs/dbraw/zinc/50/86/55/577508655.db2.gz TZRGFNSQMREGTO-MRXNPFEDSA-N 1 3 346.519 2.346 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001211284874 1295799467 /nfs/dbraw/zinc/79/94/67/1295799467.db2.gz OGCPSELFEGGAAL-SFHVURJKSA-N 1 3 347.503 2.424 20 10 EECDHO COc1cc(CN2CCC3(CCOC3)CC2)cc(C[NH+](C)C)c1O ZINC001139253503 1314721353 /nfs/dbraw/zinc/72/13/53/1314721353.db2.gz WGKPAOBIUVPPJA-UHFFFAOYSA-N 1 3 334.460 2.465 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+](C)CCc3noc(C)n3)cc2)CC1 ZINC001140302694 1314861628 /nfs/dbraw/zinc/86/16/28/1314861628.db2.gz XZZMGSDPBBPDHJ-UHFFFAOYSA-N 1 3 343.475 2.194 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+](C)CCc3noc(C)n3)cc2)CC1 ZINC001140302694 1314861629 /nfs/dbraw/zinc/86/16/29/1314861629.db2.gz XZZMGSDPBBPDHJ-UHFFFAOYSA-N 1 3 343.475 2.194 20 10 EECDHO C[C@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336923998 1336617631 /nfs/dbraw/zinc/61/76/31/1336617631.db2.gz RTRQVHVRDJKIKE-CRAIPNDOSA-N 1 3 349.523 2.172 20 10 EECDHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179765866 800097680 /nfs/dbraw/zinc/09/76/80/800097680.db2.gz DROALBGHXQTQKI-WMZOPIPTSA-N 1 3 347.503 2.424 20 10 EECDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000151559996 463552779 /nfs/dbraw/zinc/55/27/79/463552779.db2.gz IPZVKBQDRSBWTK-APWZRJJASA-N 1 3 331.504 2.468 20 10 EECDHO C[C@@H]1C[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000151559996 463552785 /nfs/dbraw/zinc/55/27/85/463552785.db2.gz IPZVKBQDRSBWTK-APWZRJJASA-N 1 3 331.504 2.468 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC000968912900 1221664452 /nfs/dbraw/zinc/66/44/52/1221664452.db2.gz WSOLICPRFQNTTR-IEBWSBKVSA-N 1 3 345.487 2.034 20 10 EECDHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1)N(C)C ZINC001035051927 783658045 /nfs/dbraw/zinc/65/80/45/783658045.db2.gz AHTZQKNNUPTRTK-MSOLQXFVSA-N 1 3 347.503 2.424 20 10 EECDHO C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000817974138 785125596 /nfs/dbraw/zinc/12/55/96/785125596.db2.gz ZHCZDBAANRELSA-IINYFYTJSA-N 1 3 335.345 2.018 20 10 EECDHO COc1ccc(Br)c(CN2CCC(F)(C[NH3+])CC2)c1O ZINC001222543482 1299671457 /nfs/dbraw/zinc/67/14/57/1299671457.db2.gz VYJQJYKEASKGMI-UHFFFAOYSA-N 1 3 347.228 2.426 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@H](F)CC3)cc2)CC1 ZINC001140302174 1314860839 /nfs/dbraw/zinc/86/08/39/1314860839.db2.gz LRDJMMKRZYUVEF-RTBURBONSA-N 1 3 335.467 2.123 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@H](F)CC3)cc2)CC1 ZINC001140302174 1314860843 /nfs/dbraw/zinc/86/08/43/1314860843.db2.gz LRDJMMKRZYUVEF-RTBURBONSA-N 1 3 335.467 2.123 20 10 EECDHO COc1cc(Br)cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1[O-] ZINC000841037555 1315459960 /nfs/dbraw/zinc/45/99/60/1315459960.db2.gz VKVFKSPIUXTCAM-SNVBAGLBSA-N 1 3 329.238 2.253 20 10 EECDHO CCOc1cccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)c1O ZINC001203615721 1321923942 /nfs/dbraw/zinc/92/39/42/1321923942.db2.gz ZAHUUASGQPXERH-UHFFFAOYSA-N 1 3 347.503 2.250 20 10 EECDHO CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001263260076 1322448718 /nfs/dbraw/zinc/44/87/18/1322448718.db2.gz PYYUAVOKTWQNNI-MSOLQXFVSA-N 1 3 334.508 2.235 20 10 EECDHO C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001325321793 1333863429 /nfs/dbraw/zinc/86/34/29/1333863429.db2.gz ZSHNLKQWJBIVLT-NVXWUHKLSA-N 1 3 334.483 2.055 20 10 EECDHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336924004 1336617561 /nfs/dbraw/zinc/61/75/61/1336617561.db2.gz RTRQVHVRDJKIKE-YJBOKZPZSA-N 1 3 349.523 2.172 20 10 EECDHO C[C@H]1CC[NH2+]CC[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893791 785048069 /nfs/dbraw/zinc/04/80/69/785048069.db2.gz HXZUXQSHIIBVID-JXFKEZNVSA-N 1 3 331.504 2.373 20 10 EECDHO C[C@H](NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000817974027 785125336 /nfs/dbraw/zinc/12/53/36/785125336.db2.gz XKSDCTBOOIPGIE-BBRMVZONSA-N 1 3 344.425 2.239 20 10 EECDHO CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768445863 577555969 /nfs/dbraw/zinc/55/59/69/577555969.db2.gz IQZPYFOYHZKNEO-GOSISDBHSA-N 1 3 334.460 2.370 20 10 EECDHO CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768445863 577555970 /nfs/dbraw/zinc/55/59/70/577555970.db2.gz IQZPYFOYHZKNEO-GOSISDBHSA-N 1 3 334.460 2.370 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CC[C@H](C)C3)C2)cc1C ZINC001019383152 1229054354 /nfs/dbraw/zinc/05/43/54/1229054354.db2.gz XOJCFUBKSRPLBF-YJBOKZPZSA-N 1 3 345.487 2.036 20 10 EECDHO COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CN2CCCC2)cc1C ZINC001045312060 1233658259 /nfs/dbraw/zinc/65/82/59/1233658259.db2.gz VKZXINVSIBOQBE-SFHVURJKSA-N 1 3 345.487 2.180 20 10 EECDHO CCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c([O-])c1 ZINC001276814675 1298465930 /nfs/dbraw/zinc/46/59/30/1298465930.db2.gz KEVNASZSIMPSQN-ROUUACIJSA-N 1 3 333.476 2.001 20 10 EECDHO CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c([O-])c1 ZINC001276814675 1298465932 /nfs/dbraw/zinc/46/59/32/1298465932.db2.gz KEVNASZSIMPSQN-ROUUACIJSA-N 1 3 333.476 2.001 20 10 EECDHO COc1cc(CN2CC[C@@H](c3nc(C)no3)C2)cc(C[NH+](C)C)c1O ZINC001139258937 1314722640 /nfs/dbraw/zinc/72/26/40/1314722640.db2.gz BKCQZRILJLPDCK-CQSZACIVSA-N 1 3 346.431 2.143 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(C(=O)OC)C3)cc2)CC1 ZINC001140309368 1314864741 /nfs/dbraw/zinc/86/47/41/1314864741.db2.gz CYUQZEYSBGIEIQ-HXUWFJFHSA-N 1 3 345.487 2.214 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@](C)(C(=O)OC)C3)cc2)CC1 ZINC001140309368 1314864744 /nfs/dbraw/zinc/86/47/44/1314864744.db2.gz CYUQZEYSBGIEIQ-HXUWFJFHSA-N 1 3 345.487 2.214 20 10 EECDHO C[C@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@@H+]1C ZINC001318723864 1332583019 /nfs/dbraw/zinc/58/30/19/1332583019.db2.gz FKAUPDXRZVGROR-DOTOQJQBSA-N 1 3 334.483 2.150 20 10 EECDHO C[C@H]1C[C@H](NCc2ccc(N3CCN(C)CC3)c(F)c2)CC[N@H+]1C ZINC001318723864 1332583021 /nfs/dbraw/zinc/58/30/21/1332583021.db2.gz FKAUPDXRZVGROR-DOTOQJQBSA-N 1 3 334.483 2.150 20 10 EECDHO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)CCN1C ZINC001318723864 1332583024 /nfs/dbraw/zinc/58/30/24/1332583024.db2.gz FKAUPDXRZVGROR-DOTOQJQBSA-N 1 3 334.483 2.150 20 10 EECDHO CN1CCN(c2ccc(CN3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428441 1334647633 /nfs/dbraw/zinc/64/76/33/1334647633.db2.gz RDYAAYKDENZYCT-SCTDSRPQSA-N 1 3 346.494 2.137 20 10 EECDHO C[C@@H](CCCC[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001336924000 1336617435 /nfs/dbraw/zinc/61/74/35/1336617435.db2.gz RTRQVHVRDJKIKE-MAUKXSAKSA-N 1 3 349.523 2.172 20 10 EECDHO CC(C)C[N@H+](CCN(C)C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809729569 783313521 /nfs/dbraw/zinc/31/35/21/783313521.db2.gz KBRJZZQEFONOCO-UHFFFAOYSA-N 1 3 332.536 2.458 20 10 EECDHO CC(C)C[N@@H+](CCN(C)C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809729569 783313531 /nfs/dbraw/zinc/31/35/31/783313531.db2.gz KBRJZZQEFONOCO-UHFFFAOYSA-N 1 3 332.536 2.458 20 10 EECDHO [NH3+]C[C@@H]1CCCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935970 785083324 /nfs/dbraw/zinc/08/33/24/785083324.db2.gz RDTGRIMUYBFZKX-YOEHRIQHSA-N 1 3 339.430 2.409 20 10 EECDHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC000999490078 794592210 /nfs/dbraw/zinc/59/22/10/794592210.db2.gz OKKUUITZIHRQTD-ZWKOTPCHSA-N 1 3 347.503 2.424 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000775677824 577442549 /nfs/dbraw/zinc/44/25/49/577442549.db2.gz RSESKUSSUZQRHP-OAQYLSRUSA-N 1 3 342.531 2.499 20 10 EECDHO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883284181 1202040434 /nfs/dbraw/zinc/04/04/34/1202040434.db2.gz HIKGYGNJIZMUJH-UHFFFAOYSA-N 1 3 327.476 2.079 20 10 EECDHO CCN1CCN(c2ccc(CN3CCCCC34C[NH2+]C4)cc2)CC1 ZINC001235101663 1305115105 /nfs/dbraw/zinc/11/51/05/1305115105.db2.gz IQMFZCIAKFJMDC-UHFFFAOYSA-N 1 3 328.504 2.156 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@@H](CO)CC[C@H]3C)cc2)CC1 ZINC001140302147 1314860307 /nfs/dbraw/zinc/86/03/07/1314860307.db2.gz LGUDQGOEQKSDFQ-MJGOQNOKSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@@H](CO)CC[C@H]3C)cc2)CC1 ZINC001140302147 1314860312 /nfs/dbraw/zinc/86/03/12/1314860312.db2.gz LGUDQGOEQKSDFQ-MJGOQNOKSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[NH+]3CC4(C3)CCCOC4)cc2)CC1 ZINC001140302634 1314861236 /nfs/dbraw/zinc/86/12/36/1314861236.db2.gz WIQCTOYWCKKXEN-UHFFFAOYSA-N 1 3 329.488 2.441 20 10 EECDHO CN(C)c1ccc(CN(C)CCN2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000843053299 1315830611 /nfs/dbraw/zinc/83/06/11/1315830611.db2.gz UPFMESMIMCTFSL-UHFFFAOYSA-N 1 3 344.425 2.108 20 10 EECDHO C[NH2+]CCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000843057791 1315831495 /nfs/dbraw/zinc/83/14/95/1315831495.db2.gz WBWPLPINMGJOIU-UHFFFAOYSA-N 1 3 335.467 2.484 20 10 EECDHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001152457723 1316674666 /nfs/dbraw/zinc/67/46/66/1316674666.db2.gz HNDLSOGMJGGNSB-KRWDZBQOSA-N 1 3 333.476 2.084 20 10 EECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001157435076 1318638879 /nfs/dbraw/zinc/63/88/79/1318638879.db2.gz RGRDMVBKZCDFOY-AEFFLSMTSA-N 1 3 345.487 2.076 20 10 EECDHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001019394514 1229064938 /nfs/dbraw/zinc/06/49/38/1229064938.db2.gz KDFDTFODQMYDBT-IRXDYDNUSA-N 1 3 333.476 2.034 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)ccc2O1 ZINC001236077978 1305494154 /nfs/dbraw/zinc/49/41/54/1305494154.db2.gz BMPZKNYCCCHKRC-MRXNPFEDSA-N 1 3 343.471 2.184 20 10 EECDHO CC1(C)C=Cc2c([O-])c(C[N@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)ccc2O1 ZINC001236077978 1305494161 /nfs/dbraw/zinc/49/41/61/1305494161.db2.gz BMPZKNYCCCHKRC-MRXNPFEDSA-N 1 3 343.471 2.184 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H]4CCO[C@H]4C3)cc2)CC1 ZINC001140301837 1314860118 /nfs/dbraw/zinc/86/01/18/1314860118.db2.gz AVUSOSFQIWHVQA-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCO[C@H]4C3)cc2)CC1 ZINC001140301837 1314860125 /nfs/dbraw/zinc/86/01/25/1314860125.db2.gz AVUSOSFQIWHVQA-QUCCMNQESA-N 1 3 329.488 2.439 20 10 EECDHO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H](N)CCCC[NH3+] ZINC001157434209 1318638070 /nfs/dbraw/zinc/63/80/70/1318638070.db2.gz NIXMUEIHPRRJJG-WMLDXEAASA-N 1 3 333.476 2.205 20 10 EECDHO CN(C)c1ccc(CN2CCN(CC3CC[NH+](C)CC3)CC2)cc1 ZINC001203937125 1321994950 /nfs/dbraw/zinc/99/49/50/1321994950.db2.gz LWMFJLJRLWKERY-UHFFFAOYSA-N 1 3 330.520 2.212 20 10 EECDHO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205240021 1322326968 /nfs/dbraw/zinc/32/69/68/1322326968.db2.gz GQZQRRCMSDVAPT-HNNXBMFYSA-N 1 3 343.265 2.139 20 10 EECDHO Cc1cc(Br)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1[O-] ZINC001205240021 1322326973 /nfs/dbraw/zinc/32/69/73/1322326973.db2.gz GQZQRRCMSDVAPT-HNNXBMFYSA-N 1 3 343.265 2.139 20 10 EECDHO Cc1c(CN2CC3(CN(CC[NH+](C)C)C3)C2)c2ccccc2n1C ZINC001276555672 1324318141 /nfs/dbraw/zinc/31/81/41/1324318141.db2.gz CQFRUQNUPYDIRB-UHFFFAOYSA-N 1 3 326.488 2.166 20 10 EECDHO C[C@@H]1CCCN(CC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001308199732 1331572202 /nfs/dbraw/zinc/57/22/02/1331572202.db2.gz ONBJKSSSXMKKJY-GOSISDBHSA-N 1 3 330.520 2.260 20 10 EECDHO CCCN1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676233 1334141428 /nfs/dbraw/zinc/14/14/28/1334141428.db2.gz PYGJJRWESMRIGL-QZTJIDSGSA-N 1 3 332.492 2.133 20 10 EECDHO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809723915 783337011 /nfs/dbraw/zinc/33/70/11/783337011.db2.gz BEZRQCGDLDLHDW-GHTZIAJQSA-N 1 3 342.531 2.497 20 10 EECDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCc1ccc(N2CCSCC2)cc1 ZINC000817888817 785023978 /nfs/dbraw/zinc/02/39/78/785023978.db2.gz PBXKMEFHSTYOTN-QGTPRVQTSA-N 1 3 335.517 2.082 20 10 EECDHO C[C@H]1C[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@@H+]1C ZINC000151560074 463552419 /nfs/dbraw/zinc/55/24/19/463552419.db2.gz IPZVKBQDRSBWTK-LPHOPBHVSA-N 1 3 331.504 2.468 20 10 EECDHO C[C@H]1C[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000151560074 463552423 /nfs/dbraw/zinc/55/24/23/463552423.db2.gz IPZVKBQDRSBWTK-LPHOPBHVSA-N 1 3 331.504 2.468 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H](C(C)C)N(C)C)C2)cc1C ZINC000968988871 1221721633 /nfs/dbraw/zinc/72/16/33/1221721633.db2.gz CPOUUNFPKDHHGP-MJGOQNOKSA-N 1 3 347.503 2.280 20 10 EECDHO CN(Cc1ccc(N2CCOCC2)cc1F)CC1CC[NH+](C)CC1 ZINC001140661886 1314924288 /nfs/dbraw/zinc/92/42/88/1314924288.db2.gz WRLPXUPIUOYKFN-UHFFFAOYSA-N 1 3 335.467 2.436 20 10 EECDHO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000841099993 1315475224 /nfs/dbraw/zinc/47/52/24/1315475224.db2.gz RFHNTRVQKQEPKS-LJQANCHMSA-N 1 3 342.491 2.420 20 10 EECDHO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](n3cc(CN)nn3)C2)cc1 ZINC000841099993 1315475228 /nfs/dbraw/zinc/47/52/28/1315475228.db2.gz RFHNTRVQKQEPKS-LJQANCHMSA-N 1 3 342.491 2.420 20 10 EECDHO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323738570 1333528690 /nfs/dbraw/zinc/52/86/90/1333528690.db2.gz AWVGAFWYLVRDAI-SFHVURJKSA-N 1 3 348.510 2.397 20 10 EECDHO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323738570 1333528691 /nfs/dbraw/zinc/52/86/91/1333528691.db2.gz AWVGAFWYLVRDAI-SFHVURJKSA-N 1 3 348.510 2.397 20 10 EECDHO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893793 785048788 /nfs/dbraw/zinc/04/87/88/785048788.db2.gz HXZUXQSHIIBVID-OXQOHEQNSA-N 1 3 331.504 2.373 20 10 EECDHO C[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000817899960 785055269 /nfs/dbraw/zinc/05/52/69/785055269.db2.gz NRAMNLUEOLVWBB-OCCSQVGLSA-N 1 3 325.403 2.454 20 10 EECDHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435240 464583546 /nfs/dbraw/zinc/58/35/46/464583546.db2.gz NCUNLNFCWDHHLC-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435240 464583548 /nfs/dbraw/zinc/58/35/48/464583548.db2.gz NCUNLNFCWDHHLC-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435240 464583549 /nfs/dbraw/zinc/58/35/49/464583549.db2.gz NCUNLNFCWDHHLC-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435240 464583550 /nfs/dbraw/zinc/58/35/50/464583550.db2.gz NCUNLNFCWDHHLC-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO C[NH+](C)CCCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768464890 577556469 /nfs/dbraw/zinc/55/64/69/577556469.db2.gz FXBFHCSEOFIMCW-GOSISDBHSA-N 1 3 334.460 2.372 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CN(C)C(C)C)C2)cc1C ZINC001211284873 1295799375 /nfs/dbraw/zinc/79/93/75/1295799375.db2.gz OGCPSELFEGGAAL-GOSISDBHSA-N 1 3 347.503 2.424 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+](C)C3CCN(C)CC3)cc2)CC1 ZINC001140299742 1314858721 /nfs/dbraw/zinc/85/87/21/1314858721.db2.gz DVSHJKBRWQXUHA-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+](C)C3CCN(C)CC3)cc2)CC1 ZINC001140299742 1314858729 /nfs/dbraw/zinc/85/87/29/1314858729.db2.gz DVSHJKBRWQXUHA-UHFFFAOYSA-N 1 3 330.520 2.355 20 10 EECDHO CC(C)[NH+]1CCC(NC(=O)CN[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000839563765 1315215714 /nfs/dbraw/zinc/21/57/14/1315215714.db2.gz NRQZDCJRLXPPBW-MRXNPFEDSA-N 1 3 346.519 2.392 20 10 EECDHO COc1cc(Br)cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c1[O-] ZINC000841084623 1315470931 /nfs/dbraw/zinc/47/09/31/1315470931.db2.gz MBXRMDSUKQQDOP-CABZTGNLSA-N 1 3 329.238 2.380 20 10 EECDHO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001308264676 1331579873 /nfs/dbraw/zinc/57/98/73/1331579873.db2.gz QYBMQGFXLUQKSO-FQEVSTJZSA-N 1 3 330.520 2.402 20 10 EECDHO CN1CCN(c2ccc(CN3CCCC[C@H]3CC[NH3+])cc2F)CC1 ZINC001326520183 1334108678 /nfs/dbraw/zinc/10/86/78/1334108678.db2.gz YBZWFMLMPKCIIB-KRWDZBQOSA-N 1 3 334.483 2.281 20 10 EECDHO CN1CCN(c2ccc(CN(C3CC3)C3CC[NH2+]CC3)cc2F)CC1 ZINC001332340757 1335806625 /nfs/dbraw/zinc/80/66/25/1335806625.db2.gz ZSMMDBKRZSZBRR-UHFFFAOYSA-N 1 3 346.494 2.294 20 10 EECDHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335664824 1336409208 /nfs/dbraw/zinc/40/92/08/1336409208.db2.gz GGDYSOZWVSWTIH-FUHWJXTLSA-N 1 3 349.523 2.028 20 10 EECDHO CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC001578413447 1403751169 /nfs/dbraw/zinc/75/11/69/1403751169.db2.gz OLTILORXDAWMME-KRWDZBQOSA-N 1 3 335.451 2.465 20 10 EECDHO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809765208 783370382 /nfs/dbraw/zinc/37/03/82/783370382.db2.gz LJXZUUGRXCLWBL-PXNSSMCTSA-N 1 3 330.520 2.210 20 10 EECDHO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809765208 783370391 /nfs/dbraw/zinc/37/03/91/783370391.db2.gz LJXZUUGRXCLWBL-PXNSSMCTSA-N 1 3 330.520 2.210 20 10 EECDHO CN(C)c1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000289460414 464080304 /nfs/dbraw/zinc/08/03/04/464080304.db2.gz OGVSGEGZLOZMGZ-UHFFFAOYSA-N 1 3 336.499 2.350 20 10 EECDHO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CN1C1CC1 ZINC000883283516 1202040467 /nfs/dbraw/zinc/04/04/67/1202040467.db2.gz IIQFCABADNPYPQ-WMZOPIPTSA-N 1 3 328.504 2.153 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN3CCC[C@H]3C)C2)cc1C ZINC001019381258 1229051045 /nfs/dbraw/zinc/05/10/45/1229051045.db2.gz CTYAPOUGKIZNFP-AEFFLSMTSA-N 1 3 345.487 2.178 20 10 EECDHO c1cc(N2CC[NH2+]CC2)ccc1C1=CC[C@@H](N2CCOCC2)CC1 ZINC001245421999 1310098606 /nfs/dbraw/zinc/09/86/06/1310098606.db2.gz AYWGKAKRTKPOGV-HXUWFJFHSA-N 1 3 327.472 2.364 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])N(C)C)cc1 ZINC001122328586 1310260990 /nfs/dbraw/zinc/26/09/90/1310260990.db2.gz PWWUZZCFZBXXQV-HBFSDRIKSA-N 1 3 346.519 2.379 20 10 EECDHO CN1CCN(c2ccc(CN3CC([NH+]4CCCCC4)C3)cc2)CC1 ZINC001139412386 1314741647 /nfs/dbraw/zinc/74/16/47/1314741647.db2.gz JHPGYMZAUPDWBU-UHFFFAOYSA-N 1 3 328.504 2.109 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CO)CC3)cc2)CC1 ZINC001140302181 1314860044 /nfs/dbraw/zinc/86/00/44/1314860044.db2.gz LYDMOWJILWQPGO-LJQANCHMSA-N 1 3 331.504 2.423 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@@H](CO)CC3)cc2)CC1 ZINC001140302181 1314860054 /nfs/dbraw/zinc/86/00/54/1314860054.db2.gz LYDMOWJILWQPGO-LJQANCHMSA-N 1 3 331.504 2.423 20 10 EECDHO CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001262585277 1322327991 /nfs/dbraw/zinc/32/79/91/1322327991.db2.gz YJFFRDIBILNXBD-AEFFLSMTSA-N 1 3 349.523 2.172 20 10 EECDHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846144344 790074106 /nfs/dbraw/zinc/07/41/06/790074106.db2.gz IVGZHQLPVLFMBX-HZPDHXFCSA-N 1 3 335.492 2.325 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)CN(C)C(C)C)[C@H]2C)cc1C ZINC001180226604 800316488 /nfs/dbraw/zinc/31/64/88/800316488.db2.gz CMPYPYNZQWEMLG-WMZOPIPTSA-N 1 3 347.503 2.423 20 10 EECDHO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374254139 467034753 /nfs/dbraw/zinc/03/47/53/467034753.db2.gz LBHQIOYJWUWOKZ-YLJYHZDGSA-N 1 3 330.520 2.210 20 10 EECDHO [O-]c1ccccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275266759 1205294322 /nfs/dbraw/zinc/29/43/22/1205294322.db2.gz DQCUNGHIESUXKF-CALCHBBNSA-N 1 3 326.444 2.459 20 10 EECDHO [O-]c1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275266759 1205294323 /nfs/dbraw/zinc/29/43/23/1205294323.db2.gz DQCUNGHIESUXKF-CALCHBBNSA-N 1 3 326.444 2.459 20 10 EECDHO [O-]c1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275266759 1205294325 /nfs/dbraw/zinc/29/43/25/1205294325.db2.gz DQCUNGHIESUXKF-CALCHBBNSA-N 1 3 326.444 2.459 20 10 EECDHO [O-]c1ccccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275266759 1205294326 /nfs/dbraw/zinc/29/43/26/1205294326.db2.gz DQCUNGHIESUXKF-CALCHBBNSA-N 1 3 326.444 2.459 20 10 EECDHO CCN1CCN(c2ccc(CN3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC001235244506 1305161406 /nfs/dbraw/zinc/16/14/06/1305161406.db2.gz GIKDIRVYJKQPBP-UYAOXDASSA-N 1 3 328.504 2.142 20 10 EECDHO CC(C)[N@@H+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C ZINC001139411604 1314740895 /nfs/dbraw/zinc/74/08/95/1314740895.db2.gz VBYBXTCIZNCQQY-SFHVURJKSA-N 1 3 330.520 2.353 20 10 EECDHO CC(C)[N@H+]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C ZINC001139411604 1314740898 /nfs/dbraw/zinc/74/08/98/1314740898.db2.gz VBYBXTCIZNCQQY-SFHVURJKSA-N 1 3 330.520 2.353 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@]4(CCOC4)C3)cc2)CC1 ZINC001140301990 1314860516 /nfs/dbraw/zinc/86/05/16/1314860516.db2.gz GXVMTSCIFQAWQB-FQEVSTJZSA-N 1 3 329.488 2.441 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@]4(CCOC4)C3)cc2)CC1 ZINC001140301990 1314860524 /nfs/dbraw/zinc/86/05/24/1314860524.db2.gz GXVMTSCIFQAWQB-FQEVSTJZSA-N 1 3 329.488 2.441 20 10 EECDHO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326221828 1334046239 /nfs/dbraw/zinc/04/62/39/1334046239.db2.gz KENPOFIMTAFQQV-NVXWUHKLSA-N 1 3 334.483 2.137 20 10 EECDHO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852279 1334727383 /nfs/dbraw/zinc/72/73/83/1334727383.db2.gz YLJSKHCLALJORW-APWZRJJASA-N 1 3 348.510 2.350 20 10 EECDHO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852279 1334727386 /nfs/dbraw/zinc/72/73/86/1334727386.db2.gz YLJSKHCLALJORW-APWZRJJASA-N 1 3 348.510 2.350 20 10 EECDHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852279 1334727388 /nfs/dbraw/zinc/72/73/88/1334727388.db2.gz YLJSKHCLALJORW-APWZRJJASA-N 1 3 348.510 2.350 20 10 EECDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001329852279 1334727390 /nfs/dbraw/zinc/72/73/90/1334727390.db2.gz YLJSKHCLALJORW-APWZRJJASA-N 1 3 348.510 2.350 20 10 EECDHO CN1CC[NH+](C2CCN(Cc3ccc4c(c3)CCCN4C)CC2)CC1 ZINC001138357458 1372387200 /nfs/dbraw/zinc/38/72/00/1372387200.db2.gz FJUNKWWBTOPJLT-UHFFFAOYSA-N 1 3 342.531 2.281 20 10 EECDHO CN1CCN(c2ccc(C[N@H+](C)CCCn3ccnc3)cc2)CC1 ZINC000809753316 783361900 /nfs/dbraw/zinc/36/19/00/783361900.db2.gz QRTQVSLUSLTQSO-UHFFFAOYSA-N 1 3 327.476 2.157 20 10 EECDHO CN1CCN(c2ccc(C[N@@H+](C)CCCn3ccnc3)cc2)CC1 ZINC000809753316 783361912 /nfs/dbraw/zinc/36/19/12/783361912.db2.gz QRTQVSLUSLTQSO-UHFFFAOYSA-N 1 3 327.476 2.157 20 10 EECDHO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809765209 783370054 /nfs/dbraw/zinc/37/00/54/783370054.db2.gz LJXZUUGRXCLWBL-XLIONFOSSA-N 1 3 330.520 2.210 20 10 EECDHO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809765209 783370064 /nfs/dbraw/zinc/37/00/64/783370064.db2.gz LJXZUUGRXCLWBL-XLIONFOSSA-N 1 3 330.520 2.210 20 10 EECDHO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000817893792 785048908 /nfs/dbraw/zinc/04/89/08/785048908.db2.gz HXZUXQSHIIBVID-OXJNMPFZSA-N 1 3 331.504 2.373 20 10 EECDHO COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)CN3CCC[C@@H]3C)C2)cc1C ZINC001022712312 678299262 /nfs/dbraw/zinc/29/92/62/678299262.db2.gz OVAPGRLCBTYWSR-RYQLBKOJSA-N 1 3 345.487 2.225 20 10 EECDHO CCN1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCC4)C3)cc2)CC1 ZINC001140304106 1314862198 /nfs/dbraw/zinc/86/21/98/1314862198.db2.gz IJRLFNVJCVGXKI-NRFANRHFSA-N 1 3 342.531 2.499 20 10 EECDHO COc1cc(Br)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1[O-] ZINC000841080827 1315469850 /nfs/dbraw/zinc/46/98/50/1315469850.db2.gz WEOFNWXQLAUUDL-CYBMUJFWSA-N 1 3 341.249 2.395 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2[NH2+]CC23CCCC3)N(C)C)cc1 ZINC001263260295 1322448824 /nfs/dbraw/zinc/44/88/24/1322448824.db2.gz WXEDMZUNKIADNP-ZWKOTPCHSA-N 1 3 344.503 2.004 20 10 EECDHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001755663767 1407714032 /nfs/dbraw/zinc/71/40/32/1407714032.db2.gz OCYVASZUOFVVMR-AEFFLSMTSA-N 1 3 347.503 2.424 20 10 EECDHO COc1ccc(N2CCN(CCN[C@H]3CCCCC[C@H]3[NH3+])CC2)cc1 ZINC000817892793 785048928 /nfs/dbraw/zinc/04/89/28/785048928.db2.gz CLAWXIOCVBDGFN-UXHICEINSA-N 1 3 346.519 2.067 20 10 EECDHO C[C@H](NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000817974034 785125453 /nfs/dbraw/zinc/12/54/53/785125453.db2.gz XKSDCTBOOIPGIE-XJKSGUPXSA-N 1 3 344.425 2.239 20 10 EECDHO C[NH+](C)CCN1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619502 1190933860 /nfs/dbraw/zinc/93/38/60/1190933860.db2.gz WLXOOGAEFKTXEK-HXUWFJFHSA-N 1 3 345.487 2.158 20 10 EECDHO C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272619502 1190933863 /nfs/dbraw/zinc/93/38/63/1190933863.db2.gz WLXOOGAEFKTXEK-HXUWFJFHSA-N 1 3 345.487 2.158 20 10 EECDHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001187321895 1279489331 /nfs/dbraw/zinc/48/93/31/1279489331.db2.gz HBSIQUDJFKDADY-QGZVFWFLSA-N 1 3 333.476 2.036 20 10 EECDHO CCN(CCn1cccn1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139257392 1314722203 /nfs/dbraw/zinc/72/22/03/1314722203.db2.gz AVBGQXDUYQZQPI-UHFFFAOYSA-N 1 3 332.448 2.181 20 10 EECDHO COc1cc(CN2CC[C@]3(C2)CCCOC3)cc(C[NH+](C)C)c1O ZINC001139259147 1314722894 /nfs/dbraw/zinc/72/28/94/1314722894.db2.gz JUIJSQYCVBEMBK-IBGZPJMESA-N 1 3 334.460 2.465 20 10 EECDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)c1[O-] ZINC000817944976 785094858 /nfs/dbraw/zinc/09/48/58/785094858.db2.gz QOWSGTLXOBPSFP-GFCCVEGCSA-N 1 3 342.281 2.019 20 10 EECDHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001082589301 797597159 /nfs/dbraw/zinc/59/71/59/797597159.db2.gz UUUAMEYFUNKCBF-KBAYOESNSA-N 1 3 347.503 2.280 20 10 EECDHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001183765171 801727248 /nfs/dbraw/zinc/72/72/48/801727248.db2.gz OSRFUEVFKZJTFR-QGZVFWFLSA-N 1 3 347.503 2.424 20 10 EECDHO CCOc1ccc(O)c(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000377620488 467098798 /nfs/dbraw/zinc/09/87/98/467098798.db2.gz DQORRBPGZZRIGJ-GOSISDBHSA-N 1 3 347.503 2.391 20 10 EECDHO CCOc1ccc(O)c(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000377620488 467098799 /nfs/dbraw/zinc/09/87/99/467098799.db2.gz DQORRBPGZZRIGJ-GOSISDBHSA-N 1 3 347.503 2.391 20 10 EECDHO C[NH+](C)CCN1CC2(C1)C[NH+](Cc1c([O-])ccc3ccccc31)C2 ZINC001276078156 1205762167 /nfs/dbraw/zinc/76/21/67/1205762167.db2.gz KMLGZGKDOGIZMC-UHFFFAOYSA-N 1 3 325.456 2.225 20 10 EECDHO Cc1cccc(C[NH+]2CCC3(CN(CCn4ccnc4)C3)CC2)c1O ZINC001276081011 1205764010 /nfs/dbraw/zinc/76/40/10/1205764010.db2.gz ZQRYAMWWDQUFFD-UHFFFAOYSA-N 1 3 340.471 2.495 20 10 EECDHO COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H](C3CC3)N(C)C)C2)cc1C ZINC001018966898 1228584937 /nfs/dbraw/zinc/58/49/37/1228584937.db2.gz WSOLICPRFQNTTR-PKOBYXMFSA-N 1 3 345.487 2.034 20 10 EECDHO COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CN(C)C(C)C)cc1C ZINC001319132589 1332654179 /nfs/dbraw/zinc/65/41/79/1332654179.db2.gz QXWUCOORPVZTJO-GOSISDBHSA-N 1 3 347.503 2.424 20 10 EECDHO C[N@@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043298 530064554 /nfs/dbraw/zinc/06/45/54/530064554.db2.gz NCUNLNFCWDHHLC-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO C[N@H+]1CCC[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043298 530064555 /nfs/dbraw/zinc/06/45/55/530064555.db2.gz NCUNLNFCWDHHLC-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043298 530064556 /nfs/dbraw/zinc/06/45/56/530064556.db2.gz NCUNLNFCWDHHLC-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043298 530064557 /nfs/dbraw/zinc/06/45/57/530064557.db2.gz NCUNLNFCWDHHLC-ICSRJNTNSA-N 1 3 329.488 2.439 20 10 EECDHO COc1ccc(O)c(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000377622029 467098645 /nfs/dbraw/zinc/09/86/45/467098645.db2.gz GROPTZPSDQFMGY-QGZVFWFLSA-N 1 3 333.476 2.001 20 10 EECDHO COc1ccc(O)c(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000377622029 467098647 /nfs/dbraw/zinc/09/86/47/467098647.db2.gz GROPTZPSDQFMGY-QGZVFWFLSA-N 1 3 333.476 2.001 20 10 EECDHO C[C@H]1C[N@H+](CCCNCc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000762482923 577701940 /nfs/dbraw/zinc/70/19/40/577701940.db2.gz NIJCZOZPNNLFBR-SFHVURJKSA-N 1 3 347.503 2.114 20 10 EECDHO C[C@H]1C[N@@H+](CCCNCc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000762482923 577701941 /nfs/dbraw/zinc/70/19/41/577701941.db2.gz NIJCZOZPNNLFBR-SFHVURJKSA-N 1 3 347.503 2.114 20 10 EECDHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)N(C)C ZINC001026916519 685314650 /nfs/dbraw/zinc/31/46/50/685314650.db2.gz JAXLHRKZNKKIJG-QZTJIDSGSA-N 1 3 347.503 2.282 20 10 EECDHO COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)cc1C ZINC001027217671 686827980 /nfs/dbraw/zinc/82/79/80/686827980.db2.gz NNWCELHJJGTEJW-SFHVURJKSA-N 1 3 345.487 2.038 20 10 EECDHO [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1ccc(N2CCCC2)cc1 ZINC001326236468 1334049517 /nfs/dbraw/zinc/04/95/17/1334049517.db2.gz JMBMFKRGZODLFH-LJQANCHMSA-N 1 3 344.503 2.106 20 10 EECDHO C[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@@H+]1C ZINC000891248394 676242477 /nfs/dbraw/zinc/24/24/77/676242477.db2.gz LIZUOVSYNIXGFR-IEZWGBDMSA-N 1 3 346.519 2.202 20 10 EECDHO C[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC[N@H+]1C ZINC000891248394 676242479 /nfs/dbraw/zinc/24/24/79/676242479.db2.gz LIZUOVSYNIXGFR-IEZWGBDMSA-N 1 3 346.519 2.202 20 10 EECDHO COc1cc(Cl)cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1[O-] ZINC000894378240 682726622 /nfs/dbraw/zinc/72/66/22/682726622.db2.gz QGVHULLSDBGNRR-UHFFFAOYSA-N 1 3 341.883 2.171 20 10 EECDHO COc1cc(Cl)cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1[O-] ZINC000894378240 682726626 /nfs/dbraw/zinc/72/66/26/682726626.db2.gz QGVHULLSDBGNRR-UHFFFAOYSA-N 1 3 341.883 2.171 20 10 EECDHO NCc1cn(-c2cccc(C[NH2+]Cc3ccc4c(c3)CCCO4)c2)nn1 ZINC000904385346 694383824 /nfs/dbraw/zinc/38/38/24/694383824.db2.gz VZTWSZRVQUKVLN-UHFFFAOYSA-N 1 3 349.438 2.341 20 10 EECDHO COc1ccc(O)c([C@@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000839538741 1315213333 /nfs/dbraw/zinc/21/33/33/1315213333.db2.gz FGIJOTPVTGJFEB-CQSZACIVSA-N 1 3 349.475 2.040 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)c2cccc(C[NH3+])c2)N(C)C)cc1 ZINC001514581858 1118797645 /nfs/dbraw/zinc/79/76/45/1118797645.db2.gz OHTKNVSQOVGEAU-IBGZPJMESA-N 1 3 340.471 2.244 20 10 EECDHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C)N(C)C ZINC001074885671 1257192819 /nfs/dbraw/zinc/19/28/19/1257192819.db2.gz QUTOMOXSDVPOPP-SZMVWBNQSA-N 1 3 347.503 2.423 20 10 EECDHO COC(=O)Cc1ccc(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c([O-])c1 ZINC001235237969 1305160232 /nfs/dbraw/zinc/16/02/32/1305160232.db2.gz OCDFAFHWJJZJSF-SFHVURJKSA-N 1 3 346.471 2.462 20 10 EECDHO [NH3+]C[C@]1(O)CCCCN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681307 1323243495 /nfs/dbraw/zinc/24/34/95/1323243495.db2.gz HYNXLFFTZNLOGO-HXUWFJFHSA-N 1 3 329.488 2.061 20 10 EECDHO NC[C@]1(O)CCCC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681307 1323243504 /nfs/dbraw/zinc/24/35/04/1323243504.db2.gz HYNXLFFTZNLOGO-HXUWFJFHSA-N 1 3 329.488 2.061 20 10 EECDHO NC[C@]1(O)CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681307 1323243513 /nfs/dbraw/zinc/24/35/13/1323243513.db2.gz HYNXLFFTZNLOGO-HXUWFJFHSA-N 1 3 329.488 2.061 20 10 EECDHO COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C2CCC2)cc1C ZINC001755236117 1407245652 /nfs/dbraw/zinc/24/56/52/1407245652.db2.gz DNYUCVQXIQPBCC-HOTGVXAUSA-N 1 3 347.503 2.471 20 10 EECDHO COCCCN1CCC([N@@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172254564 796946000 /nfs/dbraw/zinc/94/60/00/796946000.db2.gz QREXNWUQRKWABY-UHFFFAOYSA-N 1 3 334.460 2.347 20 10 EECDHO COCCCN1CCC([N@H+]2CCCc3cc(O)c(O)cc3C2)CC1 ZINC001172254564 796946005 /nfs/dbraw/zinc/94/60/05/796946005.db2.gz QREXNWUQRKWABY-UHFFFAOYSA-N 1 3 334.460 2.347 20 10 EECDHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251028 676247325 /nfs/dbraw/zinc/24/73/25/676247325.db2.gz BYGNJYJLVYZBSY-FCEWJHQRSA-N 1 3 346.519 2.344 20 10 EECDHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891251028 676247326 /nfs/dbraw/zinc/24/73/26/676247326.db2.gz BYGNJYJLVYZBSY-FCEWJHQRSA-N 1 3 346.519 2.344 20 10 EECDHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255986 676252103 /nfs/dbraw/zinc/25/21/03/676252103.db2.gz UPZKILPYJMPZHP-MOPGFXCFSA-N 1 3 346.519 2.346 20 10 EECDHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891255986 676252104 /nfs/dbraw/zinc/25/21/04/676252104.db2.gz UPZKILPYJMPZHP-MOPGFXCFSA-N 1 3 346.519 2.346 20 10 EECDHO OC1CCN(c2ccc(CNC[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000876929027 1199821282 /nfs/dbraw/zinc/82/12/82/1199821282.db2.gz FZXHLPZFYLGEGD-KRWDZBQOSA-N 1 3 329.488 2.222 20 10 EECDHO OC1CCN(c2ccc(CNC[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000876929027 1199821287 /nfs/dbraw/zinc/82/12/87/1199821287.db2.gz FZXHLPZFYLGEGD-KRWDZBQOSA-N 1 3 329.488 2.222 20 10 EECDHO OC1CCN(c2ccc(C[NH2+]C[C@@H]3CCN(C4CC4)C3)cc2)CC1 ZINC000876929027 1199821291 /nfs/dbraw/zinc/82/12/91/1199821291.db2.gz FZXHLPZFYLGEGD-KRWDZBQOSA-N 1 3 329.488 2.222 20 10 EECDHO C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001233454143 1304470330 /nfs/dbraw/zinc/47/03/30/1304470330.db2.gz IHZGGKHDFQHXDF-UHFFFAOYSA-N 1 3 333.398 2.336 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140306420 1314862949 /nfs/dbraw/zinc/86/29/49/1314862949.db2.gz RJFYXEBOLWMLRC-OALUTQOASA-N 1 3 329.488 2.297 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140306420 1314862954 /nfs/dbraw/zinc/86/29/54/1314862954.db2.gz RJFYXEBOLWMLRC-OALUTQOASA-N 1 3 329.488 2.297 20 10 EECDHO CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccccc1[O-] ZINC000840831011 1315418895 /nfs/dbraw/zinc/41/88/95/1315418895.db2.gz KGTULDBBXSTQAG-GOSISDBHSA-N 1 3 347.503 2.230 20 10 EECDHO COC[C@@]1(C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)CCCN1 ZINC000841068098 1315467368 /nfs/dbraw/zinc/46/73/68/1315467368.db2.gz VAFOQZDKFFVTIT-IBGZPJMESA-N 1 3 333.476 2.022 20 10 EECDHO COc1ccc(C[NH2+]CCCNC(=O)CN2CCC[C@@H]2C)cc1C ZINC001166627449 1321753852 /nfs/dbraw/zinc/75/38/52/1321753852.db2.gz VXFRLODGIWFWLP-INIZCTEOSA-N 1 3 333.476 2.084 20 10 EECDHO COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCN3C)C2)cc1C ZINC000998549078 792979879 /nfs/dbraw/zinc/97/98/79/792979879.db2.gz KCLLCXQQEADDAW-ABHNRTSZSA-N 1 3 345.487 2.177 20 10 EECDHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834868 467149163 /nfs/dbraw/zinc/14/91/63/467149163.db2.gz OVOUKNVQWIOEQG-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834868 467149166 /nfs/dbraw/zinc/14/91/66/467149166.db2.gz OVOUKNVQWIOEQG-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834868 467149168 /nfs/dbraw/zinc/14/91/68/467149168.db2.gz OVOUKNVQWIOEQG-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834868 467149171 /nfs/dbraw/zinc/14/91/71/467149171.db2.gz OVOUKNVQWIOEQG-AZUAARDMSA-N 1 3 329.488 2.439 20 10 EECDHO CN1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCCC4)C3)cc2)CC1 ZINC000775677823 577442565 /nfs/dbraw/zinc/44/25/65/577442565.db2.gz RSESKUSSUZQRHP-NRFANRHFSA-N 1 3 342.531 2.499 20 10 EECDHO CC[C@@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765796333 577507328 /nfs/dbraw/zinc/50/73/28/577507328.db2.gz JLGFAKCAABLLJK-IEBWSBKVSA-N 1 3 346.519 2.381 20 10 EECDHO CC[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765796333 577507329 /nfs/dbraw/zinc/50/73/29/577507329.db2.gz JLGFAKCAABLLJK-IEBWSBKVSA-N 1 3 346.519 2.381 20 10 EECDHO CC[C@H](NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765796335 577507333 /nfs/dbraw/zinc/50/73/33/577507333.db2.gz JLGFAKCAABLLJK-MJGOQNOKSA-N 1 3 346.519 2.381 20 10 EECDHO CC[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765796335 577507334 /nfs/dbraw/zinc/50/73/34/577507334.db2.gz JLGFAKCAABLLJK-MJGOQNOKSA-N 1 3 346.519 2.381 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CN3CCCC3)[C@@H]2C)cc1C ZINC000987531825 689809112 /nfs/dbraw/zinc/80/91/12/689809112.db2.gz OKJMHRIJIPLOKI-SJLPKXTDSA-N 1 3 345.487 2.178 20 10 EECDHO Cc1cc([O-])c(CN(CC[NH+](C)C)[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001236930433 1305733034 /nfs/dbraw/zinc/73/30/34/1305733034.db2.gz ANNVHIFWVUBWKK-OAHLLOKOSA-N 1 3 325.884 2.470 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)N(C)C)cc1 ZINC001122413954 1310278221 /nfs/dbraw/zinc/27/82/21/1310278221.db2.gz GZULDLCYFBRHRL-MSOLQXFVSA-N 1 3 332.492 2.004 20 10 EECDHO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323738567 1333528784 /nfs/dbraw/zinc/52/87/84/1333528784.db2.gz AWVGAFWYLVRDAI-GOSISDBHSA-N 1 3 348.510 2.397 20 10 EECDHO CC(C)[N@H+]1CC[C@H](CNCc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323738567 1333528787 /nfs/dbraw/zinc/52/87/87/1333528787.db2.gz AWVGAFWYLVRDAI-GOSISDBHSA-N 1 3 348.510 2.397 20 10 EECDHO COc1ccc(C[NH2+]CCNC(=O)C(C)(C)N2CCCCC2)cc1C ZINC001127322028 795400075 /nfs/dbraw/zinc/40/00/75/795400075.db2.gz JZCUBCAGKGZTMC-UHFFFAOYSA-N 1 3 347.503 2.474 20 10 EECDHO COc1ccc(O)c([C@H](C)[NH2+]CCCN2CCN(C(C)C)CC2)c1 ZINC000192787833 1210593782 /nfs/dbraw/zinc/59/37/82/1210593782.db2.gz OQFQVMJCAJZPDQ-INIZCTEOSA-N 1 3 335.492 2.468 20 10 EECDHO CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CCN2Cc1ccccc1O ZINC001277440831 1303026410 /nfs/dbraw/zinc/02/64/10/1303026410.db2.gz FUXSSMIQVBZOQD-XLIONFOSSA-N 1 3 345.487 2.157 20 10 EECDHO COc1cc(CN2CC[C@@H]3OCCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253333 1314721317 /nfs/dbraw/zinc/72/13/17/1314721317.db2.gz RBVOCWXWZCMXDH-WBVHZDCISA-N 1 3 334.460 2.463 20 10 EECDHO COc1ccc(C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C)cc1C ZINC001160427019 1320160833 /nfs/dbraw/zinc/16/08/33/1320160833.db2.gz LPBSNDMYXHBHOY-SFHVURJKSA-N 1 3 335.492 2.186 20 10 EECDHO C[NH+](C)CCN1CC2(C1)CN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001276445079 1322063562 /nfs/dbraw/zinc/06/35/62/1322063562.db2.gz JZOCNXODXNRREH-UHFFFAOYSA-N 1 3 331.504 2.369 20 10 EECDHO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326230790 1334048641 /nfs/dbraw/zinc/04/86/41/1334048641.db2.gz FVPNABQDCOIQBI-GOSISDBHSA-N 1 3 336.499 2.383 20 10 EECDHO CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC001335664826 1336409144 /nfs/dbraw/zinc/40/91/44/1336409144.db2.gz GGDYSOZWVSWTIH-WMZOPIPTSA-N 1 3 349.523 2.028 20 10 EECDHO CN1CCN(c2ccc(CNC[C@H]3CCCC[N@H+](C)C3)cc2F)CC1 ZINC001118803869 1308944105 /nfs/dbraw/zinc/94/41/05/1308944105.db2.gz QKSPSTRCRNIQOF-GOSISDBHSA-N 1 3 348.510 2.399 20 10 EECDHO CN1CCN(c2ccc(CNC[C@H]3CCCC[N@@H+](C)C3)cc2F)CC1 ZINC001118803869 1308944107 /nfs/dbraw/zinc/94/41/07/1308944107.db2.gz QKSPSTRCRNIQOF-GOSISDBHSA-N 1 3 348.510 2.399 20 10 EECDHO COc1cc(Cl)cc(CN2CCC(OCCC[NH3+])CC2)c1O ZINC000317356880 776242614 /nfs/dbraw/zinc/24/26/14/776242614.db2.gz AATWYLBIADGUMD-UHFFFAOYSA-N 1 3 328.840 2.384 20 10 EECDHO [NH3+]C[C@H]1CCCC[C@@H]1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000817935965 785083096 /nfs/dbraw/zinc/08/30/96/785083096.db2.gz RDTGRIMUYBFZKX-PBHICJAKSA-N 1 3 339.430 2.409 20 10 EECDHO CN(CC[NH+]1CCCCC1)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000846114416 790055435 /nfs/dbraw/zinc/05/54/35/790055435.db2.gz KUFMBHJFQSNQEH-UHFFFAOYSA-N 1 3 330.520 2.356 20 10 EECDHO CN1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823463 577232766 /nfs/dbraw/zinc/23/27/66/577232766.db2.gz CWARXCJOVSBXBV-AZUAARDMSA-N 1 3 328.504 2.155 20 10 EECDHO CN1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823463 577232768 /nfs/dbraw/zinc/23/27/68/577232768.db2.gz CWARXCJOVSBXBV-AZUAARDMSA-N 1 3 328.504 2.155 20 10 EECDHO COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C ZINC000990275969 692802422 /nfs/dbraw/zinc/80/24/22/692802422.db2.gz GEVORUAJPFIOAD-GOSISDBHSA-N 1 3 345.487 2.178 20 10 EECDHO CN(Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1ccc2c(c1)OCO2 ZINC001235962804 1305457714 /nfs/dbraw/zinc/45/77/14/1305457714.db2.gz MNXZSCAPNGLYLW-UHFFFAOYSA-N 1 3 339.439 2.457 20 10 EECDHO CCCN(Cc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC001236322819 1305560173 /nfs/dbraw/zinc/56/01/73/1305560173.db2.gz CGNTZNPUXYYZDO-HXUWFJFHSA-N 1 3 330.520 2.402 20 10 EECDHO COCCOc1ccc(N2CC[NH+]([C@H]3CCCN(C)CC3)CC2)cc1 ZINC001254529561 1318109199 /nfs/dbraw/zinc/10/91/99/1318109199.db2.gz NSWJRHCKWZRUEZ-SFHVURJKSA-N 1 3 347.503 2.318 20 10 EECDHO COc1ccc(N2CCN(CCCNc3cc[nH+]cc3)CC2)cc1 ZINC001164327505 1321352135 /nfs/dbraw/zinc/35/21/35/1321352135.db2.gz JPCIIWHUAQHVJP-UHFFFAOYSA-N 1 3 326.444 2.136 20 10 EECDHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001752680811 1406335260 /nfs/dbraw/zinc/33/52/60/1406335260.db2.gz RCKCJEDOTPPMNF-QAQDUYKDSA-N 1 3 333.476 2.082 20 10 EECDHO CN(C)c1cc(F)c(CNCCC[N@@H+]2CCCN(C)CC2)cc1F ZINC000858126605 1294014841 /nfs/dbraw/zinc/01/48/41/1294014841.db2.gz CPPGKTDQBKCXAT-UHFFFAOYSA-N 1 3 340.462 2.148 20 10 EECDHO CN(C)c1cc(F)c(CNCCC[N@H+]2CCCN(C)CC2)cc1F ZINC000858126605 1294014848 /nfs/dbraw/zinc/01/48/48/1294014848.db2.gz CPPGKTDQBKCXAT-UHFFFAOYSA-N 1 3 340.462 2.148 20 10 EECDHO [NH3+][C@H](CC(=O)Nc1ccc2c(c1)CC[NH2+]CC2)c1ccccc1[O-] ZINC001218937225 1297873185 /nfs/dbraw/zinc/87/31/85/1297873185.db2.gz OJZORSAMRACEJP-QGZVFWFLSA-N 1 3 325.412 2.109 20 10 EECDHO CCN1C[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140288832 1314854662 /nfs/dbraw/zinc/85/46/62/1314854662.db2.gz VRWQGBIZKYXPSF-HDICACEKSA-N 1 3 329.488 2.031 20 10 EECDHO CCN1C[C@@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140288832 1314854665 /nfs/dbraw/zinc/85/46/65/1314854665.db2.gz VRWQGBIZKYXPSF-HDICACEKSA-N 1 3 329.488 2.031 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CCC[C@H](CO)CC3)cc2)CC1 ZINC001140302180 1314860632 /nfs/dbraw/zinc/86/06/32/1314860632.db2.gz LYDMOWJILWQPGO-IBGZPJMESA-N 1 3 331.504 2.423 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CCC[C@H](CO)CC3)cc2)CC1 ZINC001140302180 1314860638 /nfs/dbraw/zinc/86/06/38/1314860638.db2.gz LYDMOWJILWQPGO-IBGZPJMESA-N 1 3 331.504 2.423 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3C[C@H](CO)CC[C@H]3C)cc2)CC1 ZINC001140302146 1314860791 /nfs/dbraw/zinc/86/07/91/1314860791.db2.gz LGUDQGOEQKSDFQ-IEBWSBKVSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3C[C@H](CO)CC[C@H]3C)cc2)CC1 ZINC001140302146 1314860795 /nfs/dbraw/zinc/86/07/95/1314860795.db2.gz LGUDQGOEQKSDFQ-IEBWSBKVSA-N 1 3 331.504 2.421 20 10 EECDHO CCN(CC)c1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841003976 1315453066 /nfs/dbraw/zinc/45/30/66/1315453066.db2.gz JKLSTNSKPHFWHL-GOSISDBHSA-N 1 3 346.519 2.162 20 10 EECDHO CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)CN)C2)cc1 ZINC000841003976 1315453070 /nfs/dbraw/zinc/45/30/70/1315453070.db2.gz JKLSTNSKPHFWHL-GOSISDBHSA-N 1 3 346.519 2.162 20 10 EECDHO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883289321 1202041192 /nfs/dbraw/zinc/04/11/92/1202041192.db2.gz KYDWDBBWCWUMRP-JXFKEZNVSA-N 1 3 328.504 2.011 20 10 EECDHO CN(C)c1ccc([C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC001122414430 1310277594 /nfs/dbraw/zinc/27/75/94/1310277594.db2.gz QMLSXDQWAWKDDO-NOBUEJQNSA-N 1 3 344.503 2.027 20 10 EECDHO COc1cc(CN2CCC3(C[C@H]3CCO)CC2)cc(C[NH+](C)C)c1O ZINC001139254716 1314721992 /nfs/dbraw/zinc/72/19/92/1314721992.db2.gz LFGZTJUTFLZSPZ-QGZVFWFLSA-N 1 3 348.487 2.447 20 10 EECDHO CCN1CCN(c2ccc(C[N@H+]3CC[C@@H](O)[C@@H](C)CC3)cc2)CC1 ZINC001140301964 1314860869 /nfs/dbraw/zinc/86/08/69/1314860869.db2.gz FZEYXCBFLOOYNX-FXAWDEMLSA-N 1 3 331.504 2.421 20 10 EECDHO CCN1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](C)CC3)cc2)CC1 ZINC001140301964 1314860876 /nfs/dbraw/zinc/86/08/76/1314860876.db2.gz FZEYXCBFLOOYNX-FXAWDEMLSA-N 1 3 331.504 2.421 20 10 EECDHO CCO[C@@H](CC[NH+](C)C)CNCc1cc(F)c(N(C)C)cc1F ZINC001329710069 1334700686 /nfs/dbraw/zinc/70/06/86/1334700686.db2.gz HDBKHVFFLVDNEI-AWEZNQCLSA-N 1 3 329.435 2.477 20 10 EECDHO C[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1C[NH2+]C1 ZINC000817899962 785055487 /nfs/dbraw/zinc/05/54/87/785055487.db2.gz NRAMNLUEOLVWBB-TZMCWYRMSA-N 1 3 325.403 2.454 20 10 EECDHO CN(C)c1ccc([C@@H](CNC(=O)CCC2CC[NH2+]CC2)N(C)C)cc1 ZINC001523581119 1119813979 /nfs/dbraw/zinc/81/39/79/1119813979.db2.gz NDQLKSFVOOHQEO-LJQANCHMSA-N 1 3 346.519 2.251 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@H]2C)cc1C ZINC000987070734 689307385 /nfs/dbraw/zinc/30/73/85/689307385.db2.gz SKFGQTWOTNVNSI-WMLDXEAASA-N 1 3 342.443 2.048 20 10 EECDHO COc1ccc(C[NH2+][C@@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C)cc1C ZINC001216851580 1297312646 /nfs/dbraw/zinc/31/26/46/1297312646.db2.gz AVHHBUMCPLHBCF-SJLPKXTDSA-N 1 3 347.503 2.280 20 10 EECDHO COc1ccc(O)c([C@H](C)NCC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000839538740 1315213120 /nfs/dbraw/zinc/21/31/20/1315213120.db2.gz FGIJOTPVTGJFEB-AWEZNQCLSA-N 1 3 349.475 2.040 20 10 EECDHO Cc1cc(O)c(CNCC(=O)NCC[NH+]2CCCCCC2)cc1C ZINC000816620222 784156226 /nfs/dbraw/zinc/15/62/26/784156226.db2.gz MSZQOPPNLRGKPK-UHFFFAOYSA-N 1 3 333.476 2.091 20 10 EECDHO CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1[O-] ZINC000817973251 785124165 /nfs/dbraw/zinc/12/41/65/785124165.db2.gz RTDKTKGVOXMWID-HIFRSBDPSA-N 1 3 331.382 2.269 20 10 EECDHO