smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]2CC1 ZINC001275267671 1205294516 /nfs/dbraw/zinc/29/45/16/1205294516.db2.gz VIMADKNMBZPCOX-CALCHBBNSA-N 2 1 334.460 2.157 20 10 EECDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@H]2CC1 ZINC001275320789 1205308425 /nfs/dbraw/zinc/30/84/25/1205308425.db2.gz YXIGTEQJBXIQEO-CALCHBBNSA-N 2 1 347.478 2.436 20 10 EECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@H]2CC1 ZINC001275320789 1205308428 /nfs/dbraw/zinc/30/84/28/1205308428.db2.gz YXIGTEQJBXIQEO-CALCHBBNSA-N 2 1 347.478 2.436 20 10 EECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@H]2CC1 ZINC001275320789 1205308429 /nfs/dbraw/zinc/30/84/29/1205308429.db2.gz YXIGTEQJBXIQEO-CALCHBBNSA-N 2 1 347.478 2.436 20 10 EECDMP COCC[N@H+](Cc1ccc(N(C)C)cc1OC)C1CCN(C)CC1 ZINC001231852829 1303930839 /nfs/dbraw/zinc/93/08/39/1303930839.db2.gz OSAYWSBUGVEZBI-UHFFFAOYSA-N 2 1 335.492 2.304 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235678338 1305326485 /nfs/dbraw/zinc/32/64/85/1305326485.db2.gz BCLYDAJFGKHDAR-QGZVFWFLSA-N 2 1 347.503 2.332 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235678338 1305326491 /nfs/dbraw/zinc/32/64/91/1305326491.db2.gz BCLYDAJFGKHDAR-QGZVFWFLSA-N 2 1 347.503 2.332 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@H]1O ZINC001236930644 1305734506 /nfs/dbraw/zinc/73/45/06/1305734506.db2.gz DXMJUJAUCNRSMD-BEFAXECRSA-N 2 1 335.467 2.170 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@](O)(CF)CC2)cc(C[NH+](C)C)c1O ZINC001139253323 1314721404 /nfs/dbraw/zinc/72/14/04/1314721404.db2.gz QTVSHRHPEDGVCU-SFHVURJKSA-N 2 1 340.439 2.149 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](O)(CF)CC3)cc2)CC1 ZINC001139407943 1314740096 /nfs/dbraw/zinc/74/00/96/1314740096.db2.gz HNJLUBKVDAZFEB-IBGZPJMESA-N 2 1 335.467 2.125 20 10 EECDMP CC[N@@H+](C)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139411054 1314740960 /nfs/dbraw/zinc/74/09/60/1314740960.db2.gz RYSRLSCFBMNHLF-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP COc1c(O)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000843046086 1315828801 /nfs/dbraw/zinc/82/88/01/1315828801.db2.gz MYXUTRYOLOXLJV-CQSZACIVSA-N 2 1 335.404 2.273 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000843047163 1315829026 /nfs/dbraw/zinc/82/90/26/1315829026.db2.gz HRUBKFIKVWULBD-SNVBAGLBSA-N 2 1 329.238 2.334 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c1O ZINC000843047163 1315829030 /nfs/dbraw/zinc/82/90/30/1315829030.db2.gz HRUBKFIKVWULBD-SNVBAGLBSA-N 2 1 329.238 2.334 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1C ZINC000843058127 1315832053 /nfs/dbraw/zinc/83/20/53/1315832053.db2.gz PVGHHFRMBFJHQB-WMZOPIPTSA-N 2 1 345.487 2.089 20 10 EECDMP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717149 1332749448 /nfs/dbraw/zinc/74/94/48/1332749448.db2.gz LSQCDJHCQHVXPQ-GOSISDBHSA-N 2 1 348.510 2.351 20 10 EECDMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717149 1332749451 /nfs/dbraw/zinc/74/94/51/1332749451.db2.gz LSQCDJHCQHVXPQ-GOSISDBHSA-N 2 1 348.510 2.351 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)c3ccco3)cc2F)CC1 ZINC001323189283 1333407155 /nfs/dbraw/zinc/40/71/55/1333407155.db2.gz HPAZQLPKSRZNSM-IBGZPJMESA-N 2 1 347.434 2.168 20 10 EECDMP CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001323324487 1333441850 /nfs/dbraw/zinc/44/18/50/1333441850.db2.gz VXZFGDKEWYVPSA-SJORKVTESA-N 2 1 348.510 2.492 20 10 EECDMP CC[N@H+]1C[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001323324487 1333441853 /nfs/dbraw/zinc/44/18/53/1333441853.db2.gz VXZFGDKEWYVPSA-SJORKVTESA-N 2 1 348.510 2.492 20 10 EECDMP CC(C)[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[NH2+]1 ZINC001326519510 1334108811 /nfs/dbraw/zinc/10/88/11/1334108811.db2.gz QIFYYBHQMYEGCY-GOSISDBHSA-N 2 1 334.483 2.007 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCCC[C@H]1O ZINC001332009010 1335704365 /nfs/dbraw/zinc/70/43/65/1335704365.db2.gz AKCXGXOALQFYAM-RTBURBONSA-N 2 1 335.467 2.313 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCCC[C@H]1O ZINC001332009010 1335704369 /nfs/dbraw/zinc/70/43/69/1335704369.db2.gz AKCXGXOALQFYAM-RTBURBONSA-N 2 1 335.467 2.313 20 10 EECDMP CCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000848890709 1338794754 /nfs/dbraw/zinc/79/47/54/1338794754.db2.gz UDUKJSDYECDTEN-QFBILLFUSA-N 2 1 331.504 2.412 20 10 EECDMP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001755236116 1407244492 /nfs/dbraw/zinc/24/44/92/1407244492.db2.gz DNYUCVQXIQPBCC-CVEARBPZSA-N 2 1 347.503 2.471 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1C ZINC000969947285 675332466 /nfs/dbraw/zinc/33/24/66/675332466.db2.gz CTYAPOUGKIZNFP-FUHWJXTLSA-N 2 1 345.487 2.178 20 10 EECDMP CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000891248523 676242773 /nfs/dbraw/zinc/24/27/73/676242773.db2.gz XZMRMUZWNVAHEM-IPMKNSEASA-N 2 1 346.519 2.202 20 10 EECDMP C[N@@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)(C)C ZINC000899212591 693663257 /nfs/dbraw/zinc/66/32/57/693663257.db2.gz VUZWMVMXMQQUKY-UHFFFAOYSA-N 2 1 346.519 2.033 20 10 EECDMP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275960494 1205604023 /nfs/dbraw/zinc/60/40/23/1205604023.db2.gz WTKDODDMBBFGGT-UHFFFAOYSA-N 2 1 328.504 2.109 20 10 EECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(N2CCCCC2)cc1 ZINC001138221083 1314577692 /nfs/dbraw/zinc/57/76/92/1314577692.db2.gz YJKUCVRIDJUIQH-UHFFFAOYSA-N 2 1 330.520 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](N(C)C)C3)cc2)CC1 ZINC001140304216 1314862258 /nfs/dbraw/zinc/86/22/58/1314862258.db2.gz IXXFKJRDRISNDI-HXUWFJFHSA-N 2 1 330.520 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](N(C)C)C3)cc2)CC1 ZINC001140304216 1314862263 /nfs/dbraw/zinc/86/22/63/1314862263.db2.gz IXXFKJRDRISNDI-HXUWFJFHSA-N 2 1 330.520 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[N@@H+](CC)C[C@H]3C)cc2)CC1 ZINC001140309570 1314864949 /nfs/dbraw/zinc/86/49/49/1314864949.db2.gz LWJRNOYAPNBTKW-GOSISDBHSA-N 2 1 330.520 2.355 20 10 EECDMP CCN1CC[N@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)[C@H](C)C1 ZINC001140309570 1314864957 /nfs/dbraw/zinc/86/49/57/1314864957.db2.gz LWJRNOYAPNBTKW-GOSISDBHSA-N 2 1 330.520 2.355 20 10 EECDMP CCN1CC[N@@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)[C@H](C)C1 ZINC001140309570 1314864962 /nfs/dbraw/zinc/86/49/62/1314864962.db2.gz LWJRNOYAPNBTKW-GOSISDBHSA-N 2 1 330.520 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)Cc3cncnc3)cc2)CC1 ZINC001140309749 1314865230 /nfs/dbraw/zinc/86/52/30/1314865230.db2.gz SSZFZBDOVXZKOF-UHFFFAOYSA-N 2 1 325.460 2.251 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3cncnc3)cc2)CC1 ZINC001140309749 1314865233 /nfs/dbraw/zinc/86/52/33/1314865233.db2.gz SSZFZBDOVXZKOF-UHFFFAOYSA-N 2 1 325.460 2.251 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000843047162 1315828843 /nfs/dbraw/zinc/82/88/43/1315828843.db2.gz HRUBKFIKVWULBD-JTQLQIEISA-N 2 1 329.238 2.334 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c1O ZINC000843047162 1315828845 /nfs/dbraw/zinc/82/88/45/1315828845.db2.gz HRUBKFIKVWULBD-JTQLQIEISA-N 2 1 329.238 2.334 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843121735 1315847956 /nfs/dbraw/zinc/84/79/56/1315847956.db2.gz JITBRHWCEGYXMD-IBGZPJMESA-N 2 1 346.519 2.352 20 10 EECDMP CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001319950425 1332801245 /nfs/dbraw/zinc/80/12/45/1332801245.db2.gz CMSHUNATETYHPN-QZTJIDSGSA-N 2 1 335.467 2.481 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+](CC(C)(C)O)C3CC3)cc2F)CC1 ZINC001320485294 1332894834 /nfs/dbraw/zinc/89/48/34/1332894834.db2.gz BCYWMQGLGHPSEG-UHFFFAOYSA-N 2 1 335.467 2.313 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CC(C)(C)O)C3CC3)cc2F)CC1 ZINC001320485294 1332894836 /nfs/dbraw/zinc/89/48/36/1332894836.db2.gz BCYWMQGLGHPSEG-UHFFFAOYSA-N 2 1 335.467 2.313 20 10 EECDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001323831738 1333549810 /nfs/dbraw/zinc/54/98/10/1333549810.db2.gz YMIPUMAJCXSZNQ-HUUCEWRRSA-N 2 1 331.460 2.003 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cc2F)CC1 ZINC001326077697 1334024054 /nfs/dbraw/zinc/02/40/54/1334024054.db2.gz YKGVRUNOOBDIMZ-QGZVFWFLSA-N 3 1 334.483 2.199 20 10 EECDMP C[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C[NH3+] ZINC001326201959 1334042455 /nfs/dbraw/zinc/04/24/55/1334042455.db2.gz YFWOXQSJEHJIRG-KXBFYZLASA-N 2 1 334.483 2.137 20 10 EECDMP C[C@H](COCC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326526816 1334110150 /nfs/dbraw/zinc/11/01/50/1334110150.db2.gz HKOSTFBYYNWKAY-OAHLLOKOSA-N 2 1 335.467 2.482 20 10 EECDMP CCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1 ZINC001340963562 1337270263 /nfs/dbraw/zinc/27/02/63/1337270263.db2.gz AIHRUVVAWAKENJ-UHFFFAOYSA-N 2 1 331.439 2.084 20 10 EECDMP Cc1nccn1CCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809752908 783362423 /nfs/dbraw/zinc/36/24/23/783362423.db2.gz KGNXJEPQZCEQPW-UHFFFAOYSA-N 2 1 341.503 2.465 20 10 EECDMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809752908 783362432 /nfs/dbraw/zinc/36/24/32/783362432.db2.gz KGNXJEPQZCEQPW-UHFFFAOYSA-N 3 1 341.503 2.465 20 10 EECDMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809752908 783362443 /nfs/dbraw/zinc/36/24/43/783362443.db2.gz KGNXJEPQZCEQPW-UHFFFAOYSA-N 3 1 341.503 2.465 20 10 EECDMP CCOc1ccc(O)c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000119535898 462909538 /nfs/dbraw/zinc/90/95/38/462909538.db2.gz ZGPBGAWPOSHUIA-UHFFFAOYSA-N 2 1 333.476 2.004 20 10 EECDMP COc1ccc(O)c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000185353028 463806917 /nfs/dbraw/zinc/80/69/17/463806917.db2.gz RSMJNRNTJPQDKG-OAHLLOKOSA-N 2 1 335.492 2.325 20 10 EECDMP C[N@@H+](Cc1ccccc1O)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310786 464619728 /nfs/dbraw/zinc/61/97/28/464619728.db2.gz ZMBCOZKDQGXVBH-HXUWFJFHSA-N 2 1 326.440 2.461 20 10 EECDMP C[NH+](Cc1ccccc1O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190310786 464619746 /nfs/dbraw/zinc/61/97/46/464619746.db2.gz ZMBCOZKDQGXVBH-HXUWFJFHSA-N 2 1 326.440 2.461 20 10 EECDMP C[NH+](Cc1ccccc1O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190310786 464619753 /nfs/dbraw/zinc/61/97/53/464619753.db2.gz ZMBCOZKDQGXVBH-HXUWFJFHSA-N 2 1 326.440 2.461 20 10 EECDMP COC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCCC1 ZINC000775726314 577443921 /nfs/dbraw/zinc/44/39/21/577443921.db2.gz SWPTWFWOSYTQER-UHFFFAOYSA-N 2 1 345.487 2.356 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1C ZINC001019044387 1228666971 /nfs/dbraw/zinc/66/69/71/1228666971.db2.gz SRHCMTFHKZVZMU-ROUUACIJSA-N 2 1 345.487 2.178 20 10 EECDMP CCOC(=O)c1c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c2ccccc2n1C ZINC001235938976 1305451434 /nfs/dbraw/zinc/45/14/34/1305451434.db2.gz NIGPWMBYVGDESR-GJZGRUSLSA-N 2 1 341.455 2.396 20 10 EECDMP CCOC(=O)c1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@H]3C2)c2ccccc2n1C ZINC001235938976 1305451444 /nfs/dbraw/zinc/45/14/44/1305451444.db2.gz NIGPWMBYVGDESR-GJZGRUSLSA-N 2 1 341.455 2.396 20 10 EECDMP CCCC[N@H+](CC(=O)OCC)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236143360 1305511529 /nfs/dbraw/zinc/51/15/29/1305511529.db2.gz FTNLIAYDXAXPRY-UHFFFAOYSA-N 2 1 333.476 2.261 20 10 EECDMP CCCC[N@@H+](CC(=O)OCC)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236143360 1305511538 /nfs/dbraw/zinc/51/15/38/1305511538.db2.gz FTNLIAYDXAXPRY-UHFFFAOYSA-N 2 1 333.476 2.261 20 10 EECDMP CCC[NH+]1C[C@@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC001139410759 1314740479 /nfs/dbraw/zinc/74/04/79/1314740479.db2.gz CKMOYKFVTMADLM-WOJBJXKFSA-N 2 1 342.531 2.212 20 10 EECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCN(C)CC1 ZINC001139409597 1314740824 /nfs/dbraw/zinc/74/08/24/1314740824.db2.gz MUJUXIXFEYILTH-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP Cn1ncc2c1CCC[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000840954035 1315445541 /nfs/dbraw/zinc/44/55/41/1315445541.db2.gz CAAYVZORWWADJT-UHFFFAOYSA-N 2 1 339.487 2.120 20 10 EECDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843120891 1315847975 /nfs/dbraw/zinc/84/79/75/1315847975.db2.gz DRIRPFDNNRZRHR-HXUWFJFHSA-N 2 1 328.504 2.156 20 10 EECDMP COc1cccc(C[N@@H+]2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)c1O ZINC001203591252 1321918220 /nfs/dbraw/zinc/91/82/20/1321918220.db2.gz FJNVWJFGSRYZHC-CALCHBBNSA-N 2 1 339.439 2.360 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)cc1Br ZINC001205247163 1322330244 /nfs/dbraw/zinc/33/02/44/1322330244.db2.gz CBQNIIOOBSDRRW-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP CN(C)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001320667613 1332932522 /nfs/dbraw/zinc/93/25/22/1332932522.db2.gz XGYMJTFYDNESMS-UHFFFAOYSA-N 2 1 334.483 2.151 20 10 EECDMP C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001328792091 1334522344 /nfs/dbraw/zinc/52/23/44/1334522344.db2.gz MHTVNIAOPJNYEX-RDJZCZTQSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328792091 1334522348 /nfs/dbraw/zinc/52/23/48/1334522348.db2.gz MHTVNIAOPJNYEX-RDJZCZTQSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328792091 1334522349 /nfs/dbraw/zinc/52/23/49/1334522349.db2.gz MHTVNIAOPJNYEX-RDJZCZTQSA-N 2 1 335.467 2.028 20 10 EECDMP COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000780893437 1371172689 /nfs/dbraw/zinc/17/26/89/1371172689.db2.gz PXXPBWHAJRCELN-INIZCTEOSA-N 2 1 345.487 2.212 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3C(C)(C)O)cc2F)CC1 ZINC001116674530 1371732371 /nfs/dbraw/zinc/73/23/71/1371732371.db2.gz ANOJTHDLHDOJRO-GOSISDBHSA-N 2 1 335.467 2.313 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(C)(C)O)cc2F)CC1 ZINC001116674530 1371732373 /nfs/dbraw/zinc/73/23/73/1371732373.db2.gz ANOJTHDLHDOJRO-GOSISDBHSA-N 2 1 335.467 2.313 20 10 EECDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000832281029 1372423098 /nfs/dbraw/zinc/42/30/98/1372423098.db2.gz QZWIKDQRNPDJKO-RTBURBONSA-N 2 1 340.471 2.172 20 10 EECDMP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c(O)cc(F)cc1F ZINC001140583456 760682294 /nfs/dbraw/zinc/68/22/94/760682294.db2.gz HOKAZHSPNNTQHV-UHFFFAOYSA-N 2 1 329.435 2.376 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001127077273 788482412 /nfs/dbraw/zinc/48/24/12/788482412.db2.gz AWWDLZSLIOORTQ-KRWDZBQOSA-N 2 1 333.476 2.082 20 10 EECDMP COc1cccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1O ZINC000092665670 533481746 /nfs/dbraw/zinc/48/17/46/533481746.db2.gz RLSCXRNMJPOARY-IRXDYDNUSA-N 2 1 347.503 2.391 20 10 EECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000151559875 463552356 /nfs/dbraw/zinc/55/23/56/463552356.db2.gz IPZVKBQDRSBWTK-VQIMIIECSA-N 2 1 331.504 2.468 20 10 EECDMP CN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000373247874 466742374 /nfs/dbraw/zinc/74/23/74/466742374.db2.gz UGSDTKXOTKVDNH-FQEVSTJZSA-N 2 1 330.520 2.353 20 10 EECDMP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)[NH+](C)C)cc1 ZINC000891249649 676244348 /nfs/dbraw/zinc/24/43/48/676244348.db2.gz VIBUHIQCMKQSIQ-MOPGFXCFSA-N 2 1 344.503 2.098 20 10 EECDMP CN(C)c1ccc([C@H]([NH3+])CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210643 1198531704 /nfs/dbraw/zinc/53/17/04/1198531704.db2.gz MUCMRYDPZNZOFA-QGZVFWFLSA-N 2 1 330.501 2.249 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235433062 1305226504 /nfs/dbraw/zinc/22/65/04/1305226504.db2.gz ZKPNIKJJMVXVTE-PMACEKPBSA-N 3 1 342.531 2.308 20 10 EECDMP CCOC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235946759 1305452808 /nfs/dbraw/zinc/45/28/08/1305452808.db2.gz RTNGUDFFUNRNKD-VQIMIIECSA-N 2 1 345.487 2.260 20 10 EECDMP CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235946759 1305452818 /nfs/dbraw/zinc/45/28/18/1305452818.db2.gz RTNGUDFFUNRNKD-VQIMIIECSA-N 2 1 345.487 2.260 20 10 EECDMP CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236070917 1305490189 /nfs/dbraw/zinc/49/01/89/1305490189.db2.gz CLDMRBKMJMLQHF-FQEVSTJZSA-N 2 1 345.487 2.261 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237386882 1305913981 /nfs/dbraw/zinc/91/39/81/1305913981.db2.gz BAHRYIZDUPJNKG-UYAOXDASSA-N 3 1 328.504 2.012 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237386882 1305913983 /nfs/dbraw/zinc/91/39/83/1305913983.db2.gz BAHRYIZDUPJNKG-UYAOXDASSA-N 2 1 328.504 2.012 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237404647 1305921952 /nfs/dbraw/zinc/92/19/52/1305921952.db2.gz OHKVMLOMIDZYKY-FPOVZHCZSA-N 3 1 342.531 2.402 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237404647 1305921955 /nfs/dbraw/zinc/92/19/55/1305921955.db2.gz OHKVMLOMIDZYKY-FPOVZHCZSA-N 2 1 342.531 2.402 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4[C@H](C3)CCCN4C)cc2)CC1 ZINC001140309721 1314864615 /nfs/dbraw/zinc/86/46/15/1314864615.db2.gz RWDPPJVTLQDYBR-FPOVZHCZSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@H]4[C@H](C3)CCC[N@@H+]4C)cc2)CC1 ZINC001140309721 1314864619 /nfs/dbraw/zinc/86/46/19/1314864619.db2.gz RWDPPJVTLQDYBR-FPOVZHCZSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@H]4[C@H](C3)CCC[N@H+]4C)cc2)CC1 ZINC001140309721 1314864625 /nfs/dbraw/zinc/86/46/25/1314864625.db2.gz RWDPPJVTLQDYBR-FPOVZHCZSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)Cc3ccncn3)cc2)CC1 ZINC001140309921 1314865470 /nfs/dbraw/zinc/86/54/70/1314865470.db2.gz ZXQBNSANRZPOJH-UHFFFAOYSA-N 2 1 325.460 2.251 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3ccncn3)cc2)CC1 ZINC001140309921 1314865479 /nfs/dbraw/zinc/86/54/79/1314865479.db2.gz ZXQBNSANRZPOJH-UHFFFAOYSA-N 2 1 325.460 2.251 20 10 EECDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841005279 1315452797 /nfs/dbraw/zinc/45/27/97/1315452797.db2.gz KKALZDRURJUCGH-GOSISDBHSA-N 2 1 346.519 2.160 20 10 EECDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC[NH2+]CC1 ZINC000843044951 1315827398 /nfs/dbraw/zinc/82/73/98/1315827398.db2.gz NMYYPEFSNMDDOC-UHFFFAOYSA-N 3 1 330.520 2.402 20 10 EECDMP CCN(CC)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000843124464 1315849104 /nfs/dbraw/zinc/84/91/04/1315849104.db2.gz BMMXXRMDXXNMMK-QGZVFWFLSA-N 2 1 334.483 2.151 20 10 EECDMP COCCOc1ccc(N2CCN([C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254529560 1318110285 /nfs/dbraw/zinc/11/02/85/1318110285.db2.gz NSWJRHCKWZRUEZ-GOSISDBHSA-N 2 1 347.503 2.318 20 10 EECDMP COCCOc1ccc(N2CC[NH+]([C@@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254529560 1318110293 /nfs/dbraw/zinc/11/02/93/1318110293.db2.gz NSWJRHCKWZRUEZ-GOSISDBHSA-N 2 1 347.503 2.318 20 10 EECDMP CN(C)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001203552871 1321911028 /nfs/dbraw/zinc/91/10/28/1321911028.db2.gz SZDCRBMLGNIYLQ-UHFFFAOYSA-N 2 1 345.487 2.157 20 10 EECDMP COC[C@@]1(C)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324378197 1333669625 /nfs/dbraw/zinc/66/96/25/1333669625.db2.gz LHNMJWKBPHOPRO-IBGZPJMESA-N 2 1 335.467 2.436 20 10 EECDMP COC[C@@]1(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324378197 1333669628 /nfs/dbraw/zinc/66/96/28/1333669628.db2.gz LHNMJWKBPHOPRO-IBGZPJMESA-N 2 1 335.467 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C3(CO)CCCCC3)cc2F)CC1 ZINC001116478373 1371727440 /nfs/dbraw/zinc/72/74/40/1371727440.db2.gz GSJCEZIOEXQOSN-UHFFFAOYSA-N 2 1 335.467 2.362 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@H]3C3CC3)cc2F)CC1 ZINC001119615431 1371793526 /nfs/dbraw/zinc/79/35/26/1371793526.db2.gz WLMAEJAOCIKKPE-MJGOQNOKSA-N 2 1 333.451 2.235 20 10 EECDMP CN1CCCc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc21 ZINC000848525914 1373156706 /nfs/dbraw/zinc/15/67/06/1373156706.db2.gz SCRBNVCBJIVHPN-IBGZPJMESA-N 2 1 329.488 2.412 20 10 EECDMP [NH3+][C@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)CC(F)(F)F ZINC001580131433 1403832616 /nfs/dbraw/zinc/83/26/16/1403832616.db2.gz DQKYXOKIMQZREH-HNNXBMFYSA-N 2 1 345.409 2.265 20 10 EECDMP CCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(O)c1 ZINC000809734617 783315736 /nfs/dbraw/zinc/31/57/36/783315736.db2.gz LNLYSDSOWYRGII-UHFFFAOYSA-N 2 1 335.492 2.249 20 10 EECDMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1CC[NH3+] ZINC000846226160 790093627 /nfs/dbraw/zinc/09/36/27/790093627.db2.gz JAWSYBLQIQSJFN-APWZRJJASA-N 2 1 346.519 2.160 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC000998731250 793316953 /nfs/dbraw/zinc/31/69/53/793316953.db2.gz MNUVUCUTACSSOD-ROUUACIJSA-N 2 1 345.487 2.178 20 10 EECDMP COc1cc(O)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c(Br)c1 ZINC001205124016 795373148 /nfs/dbraw/zinc/37/31/48/795373148.db2.gz IVRIHGWNPYJYLI-JTQLQIEISA-N 2 1 329.238 2.477 20 10 EECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c(Br)c1 ZINC001205124016 795373155 /nfs/dbraw/zinc/37/31/55/795373155.db2.gz IVRIHGWNPYJYLI-JTQLQIEISA-N 2 1 329.238 2.477 20 10 EECDMP COc1ccc(Br)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC001205146142 796266228 /nfs/dbraw/zinc/26/62/28/796266228.db2.gz QSSSBMHHFXUTHM-VHSXEESVSA-N 2 1 329.238 2.190 20 10 EECDMP COc1ccc(Br)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1O ZINC001205146142 796266234 /nfs/dbraw/zinc/26/62/34/796266234.db2.gz QSSSBMHHFXUTHM-VHSXEESVSA-N 2 1 329.238 2.190 20 10 EECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726598 577443978 /nfs/dbraw/zinc/44/39/78/577443978.db2.gz USROIWYMYLCDCN-LJQANCHMSA-N 3 1 330.520 2.212 20 10 EECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726598 577443979 /nfs/dbraw/zinc/44/39/79/577443979.db2.gz USROIWYMYLCDCN-LJQANCHMSA-N 3 1 330.520 2.212 20 10 EECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726598 577443980 /nfs/dbraw/zinc/44/39/80/577443980.db2.gz USROIWYMYLCDCN-LJQANCHMSA-N 3 1 330.520 2.212 20 10 EECDMP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726598 577443981 /nfs/dbraw/zinc/44/39/81/577443981.db2.gz USROIWYMYLCDCN-LJQANCHMSA-N 2 1 330.520 2.212 20 10 EECDMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726598 577443982 /nfs/dbraw/zinc/44/39/82/577443982.db2.gz USROIWYMYLCDCN-LJQANCHMSA-N 2 1 330.520 2.212 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1C ZINC001022714295 678308478 /nfs/dbraw/zinc/30/84/78/678308478.db2.gz SZTZXXZPHTXERP-JCGIZDLHSA-N 2 1 345.487 2.082 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000873047714 1198484144 /nfs/dbraw/zinc/48/41/44/1198484144.db2.gz AKULOTBIYCHRGI-QGZVFWFLSA-N 2 1 328.460 2.371 20 10 EECDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000930601673 1206569646 /nfs/dbraw/zinc/56/96/46/1206569646.db2.gz JUXJFYXOMXNMTM-HXUWFJFHSA-N 2 1 329.488 2.441 20 10 EECDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000930601673 1206569647 /nfs/dbraw/zinc/56/96/47/1206569647.db2.gz JUXJFYXOMXNMTM-HXUWFJFHSA-N 2 1 329.488 2.441 20 10 EECDMP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850072120 1277016950 /nfs/dbraw/zinc/01/69/50/1277016950.db2.gz LGYKDDIPZUMAHE-HNNXBMFYSA-N 2 1 336.476 2.245 20 10 EECDMP CCOC(=O)[C@@]12C[N@@H+](Cc3c(C)cccc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222136282 1299380356 /nfs/dbraw/zinc/38/03/56/1299380356.db2.gz PDDYQMMIGKOLNC-KXBFYZLASA-N 2 1 332.444 2.065 20 10 EECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001276875855 1300039556 /nfs/dbraw/zinc/03/95/56/1300039556.db2.gz JZOXBXXEXTXQNO-CTXDPNEZSA-N 3 1 328.504 2.153 20 10 EECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001276875855 1300039571 /nfs/dbraw/zinc/03/95/71/1300039571.db2.gz JZOXBXXEXTXQNO-CTXDPNEZSA-N 2 1 328.504 2.153 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@@]1(C)O ZINC001236936484 1305737011 /nfs/dbraw/zinc/73/70/11/1305737011.db2.gz RHTJXZBZNSOQIM-DNVCBOLYSA-N 2 1 335.467 2.170 20 10 EECDMP CCOC[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116445154 1305885798 /nfs/dbraw/zinc/88/57/98/1305885798.db2.gz OCNAEPHHZCYYEZ-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP CCOC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116445154 1305885810 /nfs/dbraw/zinc/88/58/10/1305885810.db2.gz OCNAEPHHZCYYEZ-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@](O)(CF)CC2)cc(C[NH+](C)C)c1O ZINC001139253322 1314721638 /nfs/dbraw/zinc/72/16/38/1314721638.db2.gz QTVSHRHPEDGVCU-GOSISDBHSA-N 2 1 340.439 2.149 20 10 EECDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843120890 1315847770 /nfs/dbraw/zinc/84/77/70/1315847770.db2.gz DRIRPFDNNRZRHR-FQEVSTJZSA-N 2 1 328.504 2.156 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618023 1323217877 /nfs/dbraw/zinc/21/78/77/1323217877.db2.gz QRKUNJHHEYKLCO-IEBWSBKVSA-N 3 1 330.520 2.245 20 10 EECDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618023 1323217884 /nfs/dbraw/zinc/21/78/84/1323217884.db2.gz QRKUNJHHEYKLCO-IEBWSBKVSA-N 2 1 330.520 2.245 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618023 1323217890 /nfs/dbraw/zinc/21/78/90/1323217890.db2.gz QRKUNJHHEYKLCO-IEBWSBKVSA-N 2 1 330.520 2.245 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2F)CC1 ZINC001319715273 1332749229 /nfs/dbraw/zinc/74/92/29/1332749229.db2.gz LKXFZKMVBUMYQR-MSOLQXFVSA-N 2 1 347.478 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2F)CC1 ZINC001319715273 1332749230 /nfs/dbraw/zinc/74/92/30/1332749230.db2.gz LKXFZKMVBUMYQR-MSOLQXFVSA-N 2 1 347.478 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(O)CC3)cc2F)CC1 ZINC001321043518 1333004460 /nfs/dbraw/zinc/00/44/60/1333004460.db2.gz RVIVSTBLKKZZSR-LJQANCHMSA-N 2 1 335.467 2.314 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(O)CC3)cc2F)CC1 ZINC001321043518 1333004462 /nfs/dbraw/zinc/00/44/62/1333004462.db2.gz RVIVSTBLKKZZSR-LJQANCHMSA-N 2 1 335.467 2.314 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cc2F)CC1 ZINC001326077694 1334023984 /nfs/dbraw/zinc/02/39/84/1334023984.db2.gz YKGVRUNOOBDIMZ-KRWDZBQOSA-N 3 1 334.483 2.199 20 10 EECDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)[N@H+]1C ZINC001330424105 1334841166 /nfs/dbraw/zinc/84/11/66/1334841166.db2.gz LGVMSHNYXSYFKF-IYBDPMFKSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H](C)[N@@H+]1C ZINC001330424105 1334841169 /nfs/dbraw/zinc/84/11/69/1334841169.db2.gz LGVMSHNYXSYFKF-IYBDPMFKSA-N 2 1 334.483 2.102 20 10 EECDMP CO[C@](C)(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001343636794 1337342299 /nfs/dbraw/zinc/34/22/99/1337342299.db2.gz YGIQDWJEHXWVLF-LJQANCHMSA-N 2 1 335.467 2.482 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001755484314 1407519263 /nfs/dbraw/zinc/51/92/63/1407519263.db2.gz PFIRRBGNYMBXIL-IYARVYRRSA-N 2 1 347.503 2.328 20 10 EECDMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846766466 790521064 /nfs/dbraw/zinc/52/10/64/790521064.db2.gz SILZPXOZFQKFHV-UHFFFAOYSA-N 2 1 328.460 2.321 20 10 EECDMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000846766466 790521072 /nfs/dbraw/zinc/52/10/72/790521072.db2.gz SILZPXOZFQKFHV-UHFFFAOYSA-N 2 1 328.460 2.321 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)cc2)CC1 ZINC000816641649 784164450 /nfs/dbraw/zinc/16/44/50/784164450.db2.gz ATYBUKYAHNMVHO-OAQYLSRUSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)cc2)CC1 ZINC000816641649 784164456 /nfs/dbraw/zinc/16/44/56/784164456.db2.gz ATYBUKYAHNMVHO-OAQYLSRUSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)cc2)CC1 ZINC000816641649 784164464 /nfs/dbraw/zinc/16/44/64/784164464.db2.gz ATYBUKYAHNMVHO-OAQYLSRUSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CCN(c2ccc(CNCC[N@@H+]3CCCC3(C)C)cc2)CC1 ZINC000825325854 788571600 /nfs/dbraw/zinc/57/16/00/788571600.db2.gz HJLBIPARMVKXTL-UHFFFAOYSA-N 2 1 330.520 2.402 20 10 EECDMP C[NH+]1CCN(c2ccc(CNCC[N@H+]3CCCC3(C)C)cc2)CC1 ZINC000825325854 788571610 /nfs/dbraw/zinc/57/16/10/788571610.db2.gz HJLBIPARMVKXTL-UHFFFAOYSA-N 2 1 330.520 2.402 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cc1C ZINC001127256603 794423597 /nfs/dbraw/zinc/42/35/97/794423597.db2.gz PCNVBJKCQFFPNK-ZWKOTPCHSA-N 2 1 345.487 2.084 20 10 EECDMP Cc1cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(O)cc1Br ZINC001205255550 801478059 /nfs/dbraw/zinc/47/80/59/801478059.db2.gz JZSCCWXHAAYBOS-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1O ZINC000093132930 237040459 /nfs/dbraw/zinc/04/04/59/237040459.db2.gz LDWSZJJJKMMHSY-QGZVFWFLSA-N 2 1 333.476 2.003 20 10 EECDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165182111 463640803 /nfs/dbraw/zinc/64/08/03/463640803.db2.gz NANMWRWKZGSJAW-RVKKMQEKSA-N 2 1 335.467 2.481 20 10 EECDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185341615 463804439 /nfs/dbraw/zinc/80/44/39/463804439.db2.gz MRNTXQKQRQPMBR-OAHLLOKOSA-N 2 1 345.487 2.086 20 10 EECDMP COCC[NH+](CCOC)C1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000289966059 464102400 /nfs/dbraw/zinc/10/24/00/464102400.db2.gz ZFSQJYGAKSAWNT-UHFFFAOYSA-N 2 1 336.476 2.260 20 10 EECDMP C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370710816 466975589 /nfs/dbraw/zinc/97/55/89/466975589.db2.gz UUCKILJJHLBOCR-QFBILLFUSA-N 2 1 348.510 2.350 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370710816 466975591 /nfs/dbraw/zinc/97/55/91/466975591.db2.gz UUCKILJJHLBOCR-QFBILLFUSA-N 2 1 348.510 2.350 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000775726226 577443932 /nfs/dbraw/zinc/44/39/32/577443932.db2.gz PZSISKUZSGVSKC-OALUTQOASA-N 2 1 329.488 2.297 20 10 EECDMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876779644 1199770817 /nfs/dbraw/zinc/77/08/17/1199770817.db2.gz ASTIEYBPMHUESO-GOSISDBHSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876779644 1199770824 /nfs/dbraw/zinc/77/08/24/1199770824.db2.gz ASTIEYBPMHUESO-GOSISDBHSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876779644 1199770829 /nfs/dbraw/zinc/77/08/29/1199770829.db2.gz ASTIEYBPMHUESO-GOSISDBHSA-N 2 1 331.504 2.421 20 10 EECDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(O)cc3O)(C1)CCC2 ZINC001275953602 1205600543 /nfs/dbraw/zinc/60/05/43/1205600543.db2.gz ZFYOAFVXGBFVMK-RBUKOAKNSA-N 2 1 333.476 2.184 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCCC[C@H]1O ZINC000779155010 1208531032 /nfs/dbraw/zinc/53/10/32/1208531032.db2.gz YBSKYTBTLITSCU-UYAOXDASSA-N 2 1 331.504 2.421 20 10 EECDMP CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253633 1214414530 /nfs/dbraw/zinc/41/45/30/1214414530.db2.gz YHDGPDLBSLWFRA-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253633 1214414534 /nfs/dbraw/zinc/41/45/34/1214414534.db2.gz YHDGPDLBSLWFRA-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253633 1214414540 /nfs/dbraw/zinc/41/45/40/1214414540.db2.gz YHDGPDLBSLWFRA-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP C[NH+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253633 1214414546 /nfs/dbraw/zinc/41/45/46/1214414546.db2.gz YHDGPDLBSLWFRA-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000105443509 1286390576 /nfs/dbraw/zinc/39/05/76/1286390576.db2.gz YZZHFTVTNIWUEL-INIZCTEOSA-N 2 1 328.460 2.454 20 10 EECDMP COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](CCCC[NH3+])C3)C2)cc1 ZINC001235493628 1305252910 /nfs/dbraw/zinc/25/29/10/1305252910.db2.gz PNCPYPFKBFDNDZ-HXUWFJFHSA-N 2 1 347.503 2.353 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)c(F)c2)CC1 ZINC001236948911 1305742872 /nfs/dbraw/zinc/74/28/72/1305742872.db2.gz YDKSAIUAPOZVHV-YLJYHZDGSA-N 2 1 346.494 2.104 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)cc2)CC1 ZINC001139408998 1314740674 /nfs/dbraw/zinc/74/06/74/1314740674.db2.gz RRAMHMRUYQIADJ-UYAOXDASSA-N 2 1 329.488 2.439 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N)[C@@H](F)CC3)cc2)CC1 ZINC001206173748 1323414093 /nfs/dbraw/zinc/41/40/93/1323414093.db2.gz JVQGEQNUPHDGNA-RBUKOAKNSA-N 2 1 334.483 2.090 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCO)cc2F)CC1 ZINC001324211292 1333635653 /nfs/dbraw/zinc/63/56/53/1333635653.db2.gz VMTIADBUFMJKCV-SJLPKXTDSA-N 2 1 335.467 2.218 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1=CCCOC1 ZINC001330867757 1334917850 /nfs/dbraw/zinc/91/78/50/1334917850.db2.gz ZFGKMUPUQPNWTL-UHFFFAOYSA-N 2 1 333.451 2.356 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1=CCCOC1 ZINC001330867757 1334917853 /nfs/dbraw/zinc/91/78/53/1334917853.db2.gz ZFGKMUPUQPNWTL-UHFFFAOYSA-N 2 1 333.451 2.356 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[NH+](C(C)(C)C)CC3)cc2F)CC1 ZINC001337026192 1336632671 /nfs/dbraw/zinc/63/26/71/1336632671.db2.gz PONJBADDQNOLMP-UHFFFAOYSA-N 2 1 348.510 2.494 20 10 EECDMP CC(C)[C@@H](O)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001116478815 1371727238 /nfs/dbraw/zinc/72/72/38/1371727238.db2.gz VMVKPCAUSLMLMS-LJQANCHMSA-N 2 1 349.494 2.464 20 10 EECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140665221 1372629810 /nfs/dbraw/zinc/62/98/10/1372629810.db2.gz IGGYEPZSSLYVMD-WBVHZDCISA-N 2 1 333.451 2.046 20 10 EECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140665221 1372629812 /nfs/dbraw/zinc/62/98/12/1372629812.db2.gz IGGYEPZSSLYVMD-WBVHZDCISA-N 2 1 333.451 2.046 20 10 EECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3F)C[C@@H]2C1 ZINC001140665221 1372629817 /nfs/dbraw/zinc/62/98/17/1372629817.db2.gz IGGYEPZSSLYVMD-WBVHZDCISA-N 2 1 333.451 2.046 20 10 EECDMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cn2cc[nH+]c2C)cc1C ZINC001755617054 1407684896 /nfs/dbraw/zinc/68/48/96/1407684896.db2.gz DKTFXSGHBGGZQI-OAHLLOKOSA-N 2 1 344.459 2.145 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C34CCCC4)cc2)CC1 ZINC000816630351 784140273 /nfs/dbraw/zinc/14/02/73/784140273.db2.gz BHGBEPJDFTZLPU-LJQANCHMSA-N 2 1 329.488 2.318 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000817902289 785055661 /nfs/dbraw/zinc/05/56/61/785055661.db2.gz MKIQPJLDXNJAFH-APWZRJJASA-N 2 1 348.510 2.445 20 10 EECDMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC000824988891 788389540 /nfs/dbraw/zinc/38/95/40/788389540.db2.gz SZQVKVYYKUGUAL-CTXDPNEZSA-N 3 1 328.504 2.153 20 10 EECDMP Cn1nc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1C1CC1 ZINC000922956412 788434195 /nfs/dbraw/zinc/43/41/95/788434195.db2.gz YTEDCQIRSIJOAT-UHFFFAOYSA-N 2 1 339.487 2.339 20 10 EECDMP CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825336976 788577947 /nfs/dbraw/zinc/57/79/47/788577947.db2.gz BMJNVTXCOZWLMH-FQEVSTJZSA-N 2 1 330.520 2.353 20 10 EECDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846139470 790072366 /nfs/dbraw/zinc/07/23/66/790072366.db2.gz NUICTEMOZFHMJV-INIZCTEOSA-N 2 1 335.492 2.469 20 10 EECDMP COc1cccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1O ZINC000846144623 790073901 /nfs/dbraw/zinc/07/39/01/790073901.db2.gz JREYSICVABPRMS-HNNXBMFYSA-N 2 1 335.492 2.325 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC000998731251 793316922 /nfs/dbraw/zinc/31/69/22/793316922.db2.gz MNUVUCUTACSSOD-ZWKOTPCHSA-N 2 1 345.487 2.178 20 10 EECDMP CCCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(O)c1 ZINC000289414548 464078180 /nfs/dbraw/zinc/07/81/80/464078180.db2.gz IGXKTWZQWUFJBB-UHFFFAOYSA-N 2 1 335.492 2.250 20 10 EECDMP CCOc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000377629028 467101038 /nfs/dbraw/zinc/10/10/38/467101038.db2.gz PAAJMZCFFQBTGW-SFHVURJKSA-N 2 1 347.503 2.391 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)cc2)CC1 ZINC000775742332 577444429 /nfs/dbraw/zinc/44/44/29/577444429.db2.gz UEWQWQKBMLSYMB-FPOVZHCZSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000775742332 577444430 /nfs/dbraw/zinc/44/44/30/577444430.db2.gz UEWQWQKBMLSYMB-FPOVZHCZSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000775742332 577444431 /nfs/dbraw/zinc/44/44/31/577444431.db2.gz UEWQWQKBMLSYMB-FPOVZHCZSA-N 3 1 342.531 2.355 20 10 EECDMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000765886429 577508636 /nfs/dbraw/zinc/50/86/36/577508636.db2.gz TZRGFNSQMREGTO-INIZCTEOSA-N 2 1 346.519 2.346 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001019655534 1229236445 /nfs/dbraw/zinc/23/64/45/1229236445.db2.gz TVJYIXWHFURRKW-ROUUACIJSA-N 2 1 345.487 2.036 20 10 EECDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001276875471 1300038116 /nfs/dbraw/zinc/03/81/16/1300038116.db2.gz AQCWPUSXMAAIHF-OAQYLSRUSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001276875471 1300038130 /nfs/dbraw/zinc/03/81/30/1300038130.db2.gz AQCWPUSXMAAIHF-OAQYLSRUSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001276875471 1300038141 /nfs/dbraw/zinc/03/81/41/1300038141.db2.gz AQCWPUSXMAAIHF-OAQYLSRUSA-N 3 1 342.531 2.356 20 10 EECDMP CN(C)c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])c2ccccc21 ZINC001235992684 1305469625 /nfs/dbraw/zinc/46/96/25/1305469625.db2.gz KTSVKVHKPVYLNB-NYTJIUQPSA-N 2 1 325.456 2.311 20 10 EECDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1CO ZINC001118758750 1308939234 /nfs/dbraw/zinc/93/92/34/1308939234.db2.gz ZNXGHQNKSNCIHF-NVXWUHKLSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1CO ZINC001118758750 1308939240 /nfs/dbraw/zinc/93/92/40/1308939240.db2.gz ZNXGHQNKSNCIHF-NVXWUHKLSA-N 2 1 335.467 2.028 20 10 EECDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(N)cc3)CC2)CC1 ZINC001120262572 1309411172 /nfs/dbraw/zinc/41/11/72/1309411172.db2.gz ANMYLCWXZCDORP-UHFFFAOYSA-N 2 1 344.503 2.035 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139254653 1314721899 /nfs/dbraw/zinc/72/18/99/1314721899.db2.gz KKVCBBICWGMNTB-LJQANCHMSA-N 2 1 334.460 2.465 20 10 EECDMP CCN1CCC([N@H+](C)Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139256952 1314722062 /nfs/dbraw/zinc/72/20/62/1314722062.db2.gz NKCYGALRCFDRLE-UHFFFAOYSA-N 2 1 335.492 2.379 20 10 EECDMP CCN1CCC([N@@H+](C)Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139256952 1314722067 /nfs/dbraw/zinc/72/20/67/1314722067.db2.gz NKCYGALRCFDRLE-UHFFFAOYSA-N 2 1 335.492 2.379 20 10 EECDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1cc(O)ccc1O)C2 ZINC001141159576 1315051170 /nfs/dbraw/zinc/05/11/70/1315051170.db2.gz HGWIHPRFKXUMJV-XLIONFOSSA-N 2 1 346.471 2.278 20 10 EECDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141159576 1315051171 /nfs/dbraw/zinc/05/11/71/1315051171.db2.gz HGWIHPRFKXUMJV-XLIONFOSSA-N 2 1 346.471 2.278 20 10 EECDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1cc(O)ccc1O)C2 ZINC001141159576 1315051174 /nfs/dbraw/zinc/05/11/74/1315051174.db2.gz HGWIHPRFKXUMJV-XLIONFOSSA-N 2 1 346.471 2.278 20 10 EECDMP CCOc1cccc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c1O ZINC001203609841 1321922536 /nfs/dbraw/zinc/92/25/36/1321922536.db2.gz MGHHKHJMCZUNRW-UHFFFAOYSA-N 2 1 333.432 2.421 20 10 EECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001205248702 1322330115 /nfs/dbraw/zinc/33/01/15/1322330115.db2.gz RNZVBPWOSDXRDV-OAHLLOKOSA-N 2 1 348.365 2.009 20 10 EECDMP CN(CC[N@H+](C)C1CC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325734187 1333950041 /nfs/dbraw/zinc/95/00/41/1333950041.db2.gz QVWYQXVHQVJNMV-UHFFFAOYSA-N 2 1 334.483 2.104 20 10 EECDMP CN(CC[N@@H+](C)C1CC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325734187 1333950043 /nfs/dbraw/zinc/95/00/43/1333950043.db2.gz QVWYQXVHQVJNMV-UHFFFAOYSA-N 2 1 334.483 2.104 20 10 EECDMP CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817889221 785024545 /nfs/dbraw/zinc/02/45/45/785024545.db2.gz NZWUIXLBOGRSEC-UHOSZYNNSA-N 2 1 344.503 2.009 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C[NH3+] ZINC000817865983 785032489 /nfs/dbraw/zinc/03/24/89/785032489.db2.gz QUYLOJGHKHNWOV-HLLBOEOZSA-N 2 1 335.467 2.468 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC34CC[NH+](C)CC4)cc2)CC1 ZINC000789558911 808078651 /nfs/dbraw/zinc/07/86/51/808078651.db2.gz FLDRRLZZLNZICU-UHFFFAOYSA-N 3 1 342.531 2.499 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCCC34CC[NH+](C)CC4)cc2)CC1 ZINC000789558911 808078661 /nfs/dbraw/zinc/07/86/61/808078661.db2.gz FLDRRLZZLNZICU-UHFFFAOYSA-N 2 1 342.531 2.499 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCCC34CC[NH+](C)CC4)cc2)CC1 ZINC000789558911 808078668 /nfs/dbraw/zinc/07/86/68/808078668.db2.gz FLDRRLZZLNZICU-UHFFFAOYSA-N 2 1 342.531 2.499 20 10 EECDMP CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000370704793 466973000 /nfs/dbraw/zinc/97/30/00/466973000.db2.gz BKXRUWWZYLRTMK-AEFFLSMTSA-N 2 1 347.503 2.249 20 10 EECDMP CCOC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)C ZINC000775656578 577441897 /nfs/dbraw/zinc/44/18/97/577441897.db2.gz KMOIRDYKDPNUDD-UHFFFAOYSA-N 2 1 347.503 2.460 20 10 EECDMP CCOC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)C ZINC000775656578 577441898 /nfs/dbraw/zinc/44/18/98/577441898.db2.gz KMOIRDYKDPNUDD-UHFFFAOYSA-N 2 1 347.503 2.460 20 10 EECDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c1C ZINC000756551658 577846456 /nfs/dbraw/zinc/84/64/56/577846456.db2.gz WGTFNFMBFITLCR-HOTGVXAUSA-N 2 1 333.476 2.247 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](n4cccn4)C3)cc2)CC1 ZINC000812780954 1200912521 /nfs/dbraw/zinc/91/25/21/1200912521.db2.gz XLIFZYCGWVLYPK-LJQANCHMSA-N 2 1 325.460 2.082 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2)CC1 ZINC000850350361 1277194119 /nfs/dbraw/zinc/19/41/19/1277194119.db2.gz AUHFDFPKSVCUFB-SFHVURJKSA-N 2 1 330.520 2.401 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC000850350361 1277194122 /nfs/dbraw/zinc/19/41/22/1277194122.db2.gz AUHFDFPKSVCUFB-SFHVURJKSA-N 2 1 330.520 2.401 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001188158517 1279790569 /nfs/dbraw/zinc/79/05/69/1279790569.db2.gz RFAIOFMOIJZYLN-QGZVFWFLSA-N 2 1 333.476 2.034 20 10 EECDMP CC[NH+](CC)CCN1CC[NH+](Cc2ccc(N(C)C)cc2OC)CC1 ZINC001231849762 1303930094 /nfs/dbraw/zinc/93/00/94/1303930094.db2.gz YREWPEHDAUHSNV-UHFFFAOYSA-N 2 1 348.535 2.221 20 10 EECDMP CN(C)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]C[C@@H]3C2)c2ccccc21 ZINC001234970597 1305066341 /nfs/dbraw/zinc/06/63/41/1305066341.db2.gz JRHMECSQJZHKCH-OXQOHEQNSA-N 2 1 325.456 2.326 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)c(F)c2)CC1 ZINC001236943992 1305741210 /nfs/dbraw/zinc/74/12/10/1305741210.db2.gz YHKWTKPMTXXGNI-APWZRJJASA-N 2 1 333.451 2.188 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253128 1314721563 /nfs/dbraw/zinc/72/15/63/1314721563.db2.gz MYZCMLMDSBVFHO-AUUYWEPGSA-N 2 1 336.476 2.445 20 10 EECDMP CC[N@@H+](Cc1cc(C[NH+](C)C)c(O)c(OC)c1)C1CCN(C)CC1 ZINC001139256439 1314722018 /nfs/dbraw/zinc/72/20/18/1314722018.db2.gz BGDAFXMARIDGRU-UHFFFAOYSA-N 2 1 335.492 2.379 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2)CC1 ZINC001140306193 1314863042 /nfs/dbraw/zinc/86/30/42/1314863042.db2.gz OMXGXLMWOIQORC-NRFANRHFSA-N 3 1 342.531 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc2)CC1 ZINC001140306193 1314863047 /nfs/dbraw/zinc/86/30/47/1314863047.db2.gz OMXGXLMWOIQORC-NRFANRHFSA-N 3 1 342.531 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc2)CC1 ZINC001140306193 1314863051 /nfs/dbraw/zinc/86/30/51/1314863051.db2.gz OMXGXLMWOIQORC-NRFANRHFSA-N 3 1 342.531 2.356 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843056931 1315831377 /nfs/dbraw/zinc/83/13/77/1315831377.db2.gz CPQFQCZODWQXTA-NXEZZACHSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1O ZINC000843056931 1315831381 /nfs/dbraw/zinc/83/13/81/1315831381.db2.gz CPQFQCZODWQXTA-NXEZZACHSA-N 2 1 329.238 2.332 20 10 EECDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@H]1CCC[NH2+]CC1 ZINC001206597930 1323542532 /nfs/dbraw/zinc/54/25/32/1323542532.db2.gz GLIPBASNFAYRNI-SFHVURJKSA-N 3 1 346.519 2.154 20 10 EECDMP COCCOc1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208615547 1324594797 /nfs/dbraw/zinc/59/47/97/1324594797.db2.gz HURXCIHUIOCLBD-GOSISDBHSA-N 2 1 347.503 2.176 20 10 EECDMP COCCOc1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208615547 1324594801 /nfs/dbraw/zinc/59/48/01/1324594801.db2.gz HURXCIHUIOCLBD-GOSISDBHSA-N 2 1 347.503 2.176 20 10 EECDMP C[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H]1C[NH3+] ZINC001326201954 1334042490 /nfs/dbraw/zinc/04/24/90/1334042490.db2.gz YFWOXQSJEHJIRG-BEFAXECRSA-N 2 1 334.483 2.137 20 10 EECDMP CCC[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000844221197 788912668 /nfs/dbraw/zinc/91/26/68/788912668.db2.gz KAMRNMHBUBMROU-UHFFFAOYSA-N 2 1 346.519 2.175 20 10 EECDMP CCC[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC[NH2+]CC1 ZINC000844221197 788912674 /nfs/dbraw/zinc/91/26/74/788912674.db2.gz KAMRNMHBUBMROU-UHFFFAOYSA-N 2 1 346.519 2.175 20 10 EECDMP Oc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001144509052 789909559 /nfs/dbraw/zinc/90/95/59/789909559.db2.gz JJFUDTFJMDCJLF-IYBDPMFKSA-N 2 1 340.423 2.367 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001144509052 789909565 /nfs/dbraw/zinc/90/95/65/789909565.db2.gz JJFUDTFJMDCJLF-IYBDPMFKSA-N 2 1 340.423 2.367 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001144509052 789909571 /nfs/dbraw/zinc/90/95/71/789909571.db2.gz JJFUDTFJMDCJLF-IYBDPMFKSA-N 2 1 340.423 2.367 20 10 EECDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001176992563 798683936 /nfs/dbraw/zinc/68/39/36/798683936.db2.gz UFLNOULJSNGPDI-SFHVURJKSA-N 2 1 347.503 2.474 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000775653242 577441876 /nfs/dbraw/zinc/44/18/76/577441876.db2.gz AZNFTHRMNIDMDU-IBGZPJMESA-N 3 1 330.520 2.212 20 10 EECDMP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000775653242 577441877 /nfs/dbraw/zinc/44/18/77/577441877.db2.gz AZNFTHRMNIDMDU-IBGZPJMESA-N 3 1 330.520 2.212 20 10 EECDMP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000775653242 577441878 /nfs/dbraw/zinc/44/18/78/577441878.db2.gz AZNFTHRMNIDMDU-IBGZPJMESA-N 3 1 330.520 2.212 20 10 EECDMP Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)[C@@H](O)CO2 ZINC000768448905 577556033 /nfs/dbraw/zinc/55/60/33/577556033.db2.gz YCYONKDUMLKYBL-YJBOKZPZSA-N 2 1 332.444 2.268 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)[C@@H](O)CO2 ZINC000768448905 577556034 /nfs/dbraw/zinc/55/60/34/577556034.db2.gz YCYONKDUMLKYBL-YJBOKZPZSA-N 2 1 332.444 2.268 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC001026733919 684925264 /nfs/dbraw/zinc/92/52/64/684925264.db2.gz JUTRKJHUSWNCGD-MSOLQXFVSA-N 2 1 345.487 2.036 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001034885158 1196831580 /nfs/dbraw/zinc/83/15/80/1196831580.db2.gz PPCCDVIEUFFUDS-MSOLQXFVSA-N 2 1 345.487 2.178 20 10 EECDMP Cc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001275315780 1205306630 /nfs/dbraw/zinc/30/66/30/1205306630.db2.gz XNRUQQDOWFFWJJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001275315780 1205306632 /nfs/dbraw/zinc/30/66/32/1205306632.db2.gz XNRUQQDOWFFWJJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001275315780 1205306633 /nfs/dbraw/zinc/30/66/33/1205306633.db2.gz XNRUQQDOWFFWJJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1 ZINC001275315780 1205306635 /nfs/dbraw/zinc/30/66/35/1205306635.db2.gz XNRUQQDOWFFWJJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1 ZINC001275315780 1205306637 /nfs/dbraw/zinc/30/66/37/1205306637.db2.gz XNRUQQDOWFFWJJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1C ZINC001020302730 1229614789 /nfs/dbraw/zinc/61/47/89/1229614789.db2.gz QRTJSVVBWQOEGN-BZSNNMDCSA-N 2 1 345.487 2.225 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000850406908 1277216627 /nfs/dbraw/zinc/21/66/27/1277216627.db2.gz YRISBHZRDIQSHV-IEBWSBKVSA-N 2 1 329.488 2.364 20 10 EECDMP C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c[nH+]ccc1N ZINC000854230403 1292679323 /nfs/dbraw/zinc/67/93/23/1292679323.db2.gz OUGVCKJSHAIEQD-AWEZNQCLSA-N 2 1 326.444 2.306 20 10 EECDMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc3ccccc3c2O)CCC1=O ZINC001231881259 1303937322 /nfs/dbraw/zinc/93/73/22/1303937322.db2.gz UKJMPBDWGATEEA-UHFFFAOYSA-N 2 1 341.455 2.141 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169155 1305136520 /nfs/dbraw/zinc/13/65/20/1305136520.db2.gz WEPANPZEILCBSM-FQEVSTJZSA-N 3 1 328.504 2.204 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235169155 1305136524 /nfs/dbraw/zinc/13/65/24/1305136524.db2.gz WEPANPZEILCBSM-FQEVSTJZSA-N 3 1 328.504 2.204 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1O ZINC001236931468 1305734260 /nfs/dbraw/zinc/73/42/60/1305734260.db2.gz KRWVMQWWWLQOJY-DNVCBOLYSA-N 2 1 335.467 2.170 20 10 EECDMP Oc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC001256596066 1318795840 /nfs/dbraw/zinc/79/58/40/1318795840.db2.gz SMZJPZVUWVVZLM-FQEVSTJZSA-N 2 1 342.439 2.385 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206021699 1323371027 /nfs/dbraw/zinc/37/10/27/1323371027.db2.gz ATAORGPAMJQGMO-SJORKVTESA-N 3 1 348.510 2.384 20 10 EECDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206021699 1323371032 /nfs/dbraw/zinc/37/10/32/1323371032.db2.gz ATAORGPAMJQGMO-SJORKVTESA-N 2 1 348.510 2.384 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206021699 1323371039 /nfs/dbraw/zinc/37/10/39/1323371039.db2.gz ATAORGPAMJQGMO-SJORKVTESA-N 2 1 348.510 2.384 20 10 EECDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1(C)C ZINC001325156040 1333840417 /nfs/dbraw/zinc/84/04/17/1333840417.db2.gz BTIBIKCMJREKBC-UHFFFAOYSA-N 2 1 330.520 2.402 20 10 EECDMP CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000377629026 467101277 /nfs/dbraw/zinc/10/12/77/467101277.db2.gz PAAJMZCFFQBTGW-GOSISDBHSA-N 2 1 347.503 2.391 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000775653243 577441884 /nfs/dbraw/zinc/44/18/84/577441884.db2.gz AZNFTHRMNIDMDU-LJQANCHMSA-N 3 1 330.520 2.212 20 10 EECDMP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000775653243 577441885 /nfs/dbraw/zinc/44/18/85/577441885.db2.gz AZNFTHRMNIDMDU-LJQANCHMSA-N 3 1 330.520 2.212 20 10 EECDMP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000775653243 577441886 /nfs/dbraw/zinc/44/18/86/577441886.db2.gz AZNFTHRMNIDMDU-LJQANCHMSA-N 3 1 330.520 2.212 20 10 EECDMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(F)ccc1O ZINC000756565316 577846960 /nfs/dbraw/zinc/84/69/60/577846960.db2.gz ZARLAECPIOLKMC-CYBMUJFWSA-N 2 1 337.439 2.125 20 10 EECDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1O ZINC001273303775 1197999516 /nfs/dbraw/zinc/99/95/16/1197999516.db2.gz GLRDLGNPUJVTAD-IBGZPJMESA-N 2 1 349.450 2.050 20 10 EECDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1O ZINC001273303775 1197999521 /nfs/dbraw/zinc/99/95/21/1197999521.db2.gz GLRDLGNPUJVTAD-IBGZPJMESA-N 2 1 349.450 2.050 20 10 EECDMP CCN(CC)c1ccc(C[NH+]2CC3(CCN3CC[NH+](C)C)C2)cc1 ZINC001275834127 1205557187 /nfs/dbraw/zinc/55/71/87/1205557187.db2.gz XBCLCOISKCVDAN-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP CC[C@]1(CO)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779217132 1209393874 /nfs/dbraw/zinc/39/38/74/1209393874.db2.gz MMBPKXWNRDUHMJ-FQEVSTJZSA-N 2 1 331.504 2.423 20 10 EECDMP CN(C)C1(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000783744374 1304344859 /nfs/dbraw/zinc/34/48/59/1304344859.db2.gz SCLJNYCKZDZBNN-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP CN(C)C1(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC1 ZINC000783744374 1304344865 /nfs/dbraw/zinc/34/48/65/1304344865.db2.gz SCLJNYCKZDZBNN-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236944069 1305740563 /nfs/dbraw/zinc/74/05/63/1305740563.db2.gz ZCJGEXRAMQRZBC-LJQANCHMSA-N 2 1 348.510 2.492 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC4(C[NH+](C)C4)CC3)c(F)c2)CC1 ZINC001236943862 1305741282 /nfs/dbraw/zinc/74/12/82/1305741282.db2.gz WXNWAWSYMOZDKU-UHFFFAOYSA-N 2 1 346.494 2.105 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@]1(C)O ZINC001139409108 1314740526 /nfs/dbraw/zinc/74/05/26/1314740526.db2.gz WRRVXWIBSCWVSO-PXNSSMCTSA-N 2 1 331.504 2.421 20 10 EECDMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)ccc(C)c3O)CC[C@@H]2C1 ZINC001140180913 1314828645 /nfs/dbraw/zinc/82/86/45/1314828645.db2.gz OGDUSOGMKYUUTM-IEBWSBKVSA-N 2 1 348.487 2.178 20 10 EECDMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(C)ccc(C)c3O)CC[C@@H]2C1 ZINC001140180913 1314828648 /nfs/dbraw/zinc/82/86/48/1314828648.db2.gz OGDUSOGMKYUUTM-IEBWSBKVSA-N 2 1 348.487 2.178 20 10 EECDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(C)ccc(C)c3O)CC[C@@H]2C1 ZINC001140180913 1314828651 /nfs/dbraw/zinc/82/86/51/1314828651.db2.gz OGDUSOGMKYUUTM-IEBWSBKVSA-N 2 1 348.487 2.178 20 10 EECDMP CN1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cc2)CC1 ZINC000841081396 1315470302 /nfs/dbraw/zinc/47/03/02/1315470302.db2.gz AHRMGDSOULZFDN-IYARVYRRSA-N 2 1 330.520 2.293 20 10 EECDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCN(C)C1 ZINC000843421377 1315911847 /nfs/dbraw/zinc/91/18/47/1315911847.db2.gz CRMBMNLTKMHRDC-FQEVSTJZSA-N 2 1 330.520 2.355 20 10 EECDMP CC[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C1 ZINC001323999246 1333585646 /nfs/dbraw/zinc/58/56/46/1333585646.db2.gz GFTISDSFXSTDQE-INIZCTEOSA-N 2 1 334.483 2.104 20 10 EECDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C1 ZINC001323999246 1333585649 /nfs/dbraw/zinc/58/56/49/1333585649.db2.gz GFTISDSFXSTDQE-INIZCTEOSA-N 2 1 334.483 2.104 20 10 EECDMP C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327394735 1334283925 /nfs/dbraw/zinc/28/39/25/1334283925.db2.gz NZPKHNVIEGEBMI-WBVHZDCISA-N 2 1 335.467 2.170 20 10 EECDMP C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327394735 1334283929 /nfs/dbraw/zinc/28/39/29/1334283929.db2.gz NZPKHNVIEGEBMI-WBVHZDCISA-N 2 1 335.467 2.170 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428437 1334647908 /nfs/dbraw/zinc/64/79/08/1334647908.db2.gz RDYAAYKDENZYCT-JENIJYKNSA-N 2 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428437 1334647914 /nfs/dbraw/zinc/64/79/14/1334647914.db2.gz RDYAAYKDENZYCT-JENIJYKNSA-N 3 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428437 1334647917 /nfs/dbraw/zinc/64/79/17/1334647917.db2.gz RDYAAYKDENZYCT-JENIJYKNSA-N 3 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[S@](=O)C(C)(C)CC3)cc2)CC1 ZINC000825025082 788402105 /nfs/dbraw/zinc/40/21/05/788402105.db2.gz YEAHAXKONVSDAY-DEOSSOPVSA-N 2 1 349.544 2.171 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[S@](=O)C(C)(C)CC3)cc2)CC1 ZINC000825025082 788402109 /nfs/dbraw/zinc/40/21/09/788402109.db2.gz YEAHAXKONVSDAY-DEOSSOPVSA-N 2 1 349.544 2.171 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000843126112 794647979 /nfs/dbraw/zinc/64/79/79/794647979.db2.gz GPWWIEYGFMACDX-FQEVSTJZSA-N 2 1 342.531 2.260 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1C ZINC001130713526 811962881 /nfs/dbraw/zinc/96/28/81/811962881.db2.gz RKBKKOSUWKIDJK-SFHVURJKSA-N 2 1 347.503 2.330 20 10 EECDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)CC1 ZINC000293093250 464386384 /nfs/dbraw/zinc/38/63/84/464386384.db2.gz NIQIFTNABJNFCY-LJQANCHMSA-N 2 1 330.520 2.273 20 10 EECDMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)c1 ZINC000770353270 577594383 /nfs/dbraw/zinc/59/43/83/577594383.db2.gz ZDEJSIPKJCYZDC-HHXXYDBFSA-N 2 1 334.460 2.474 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1O ZINC000895192864 684273309 /nfs/dbraw/zinc/27/33/09/684273309.db2.gz OTNONJBXPWZYOO-QGZVFWFLSA-N 2 1 334.460 2.396 20 10 EECDMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000702601907 1196043513 /nfs/dbraw/zinc/04/35/13/1196043513.db2.gz DJZSYWKCCAXRLO-HXUWFJFHSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000702601907 1196043514 /nfs/dbraw/zinc/04/35/14/1196043514.db2.gz DJZSYWKCCAXRLO-HXUWFJFHSA-N 2 1 326.440 2.427 20 10 EECDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877653538 1200008159 /nfs/dbraw/zinc/00/81/59/1200008159.db2.gz MRMDNMRZSQUXHV-GOSISDBHSA-N 2 1 331.504 2.469 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC001020172274 1229529807 /nfs/dbraw/zinc/52/98/07/1229529807.db2.gz VFBOGRRJWQFDFL-VDHUWJSZSA-N 2 1 345.487 2.081 20 10 EECDMP CC[NH+]1CCN(c2ccc(O[C@@H]3CCc4[nH+]ccn4C3)cc2)CC1 ZINC001234661136 1305003224 /nfs/dbraw/zinc/00/32/24/1305003224.db2.gz QAPQPKJKRUXQRY-GOSISDBHSA-N 2 1 326.444 2.419 20 10 EECDMP Oc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c(O)cc1Br ZINC001236320614 1305560613 /nfs/dbraw/zinc/56/06/13/1305560613.db2.gz JXCVHAFEMBLDFT-PHIMTYICSA-N 2 1 341.249 2.292 20 10 EECDMP CC(C)c1ccc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c(O)c1 ZINC001237049330 1305778733 /nfs/dbraw/zinc/77/87/33/1305778733.db2.gz NFZCVDFTFVELJK-UHFFFAOYSA-N 2 1 333.476 2.112 20 10 EECDMP COc1c(O)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000843046085 1315828676 /nfs/dbraw/zinc/82/86/76/1315828676.db2.gz MYXUTRYOLOXLJV-AWEZNQCLSA-N 2 1 335.404 2.273 20 10 EECDMP Oc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001204274916 1322101074 /nfs/dbraw/zinc/10/10/74/1322101074.db2.gz VOBBJPXSULYFJL-AEFFLSMTSA-N 2 1 339.439 2.447 20 10 EECDMP Oc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001204274916 1322101079 /nfs/dbraw/zinc/10/10/79/1322101079.db2.gz VOBBJPXSULYFJL-AEFFLSMTSA-N 2 1 339.439 2.447 20 10 EECDMP Oc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001204274916 1322101098 /nfs/dbraw/zinc/10/10/98/1322101098.db2.gz VOBBJPXSULYFJL-AEFFLSMTSA-N 2 1 339.439 2.447 20 10 EECDMP COc1cc(O)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205116955 1322289225 /nfs/dbraw/zinc/28/92/25/1322289225.db2.gz JZZYTTFSCMEURI-LLVKDONJSA-N 2 1 329.238 2.477 20 10 EECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)cc1Br ZINC001205116955 1322289230 /nfs/dbraw/zinc/28/92/30/1322289230.db2.gz JZZYTTFSCMEURI-LLVKDONJSA-N 2 1 329.238 2.477 20 10 EECDMP COC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001323453355 1333466825 /nfs/dbraw/zinc/46/68/25/1333466825.db2.gz UGQGGOBSNDXUIZ-UHFFFAOYSA-N 2 1 333.476 2.212 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3CCO)cc2F)CC1 ZINC001324211288 1333635741 /nfs/dbraw/zinc/63/57/41/1333635741.db2.gz VMTIADBUFMJKCV-AEFFLSMTSA-N 2 1 335.467 2.218 20 10 EECDMP COc1cccnc1CNCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001325132712 1333835148 /nfs/dbraw/zinc/83/51/48/1333835148.db2.gz OJSCOUHVFDVIDC-UHFFFAOYSA-N 2 1 344.434 2.271 20 10 EECDMP CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325928219 1333997952 /nfs/dbraw/zinc/99/79/52/1333997952.db2.gz ILZPSOBVMDQLMT-HXUWFJFHSA-N 2 1 349.494 2.418 20 10 EECDMP CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325928219 1333997953 /nfs/dbraw/zinc/99/79/53/1333997953.db2.gz ILZPSOBVMDQLMT-HXUWFJFHSA-N 2 1 349.494 2.418 20 10 EECDMP Cn1ccc2c[nH+]c(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc21 ZINC001167422796 758342465 /nfs/dbraw/zinc/34/24/65/758342465.db2.gz BRBIZZRCFXRXQP-UHFFFAOYSA-N 2 1 336.443 2.332 20 10 EECDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765627 783370219 /nfs/dbraw/zinc/37/02/19/783370219.db2.gz PPCOYWJRJQYIAI-YJBOKZPZSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765627 783370228 /nfs/dbraw/zinc/37/02/28/783370228.db2.gz PPCOYWJRJQYIAI-YJBOKZPZSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765627 783370240 /nfs/dbraw/zinc/37/02/40/783370240.db2.gz PPCOYWJRJQYIAI-YJBOKZPZSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765627 783370251 /nfs/dbraw/zinc/37/02/51/783370251.db2.gz PPCOYWJRJQYIAI-YJBOKZPZSA-N 2 1 335.467 2.434 20 10 EECDMP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CCN1C1CC1 ZINC001172002330 796829721 /nfs/dbraw/zinc/82/97/21/796829721.db2.gz ADBHLSFUHRVMAT-QGZVFWFLSA-N 2 1 343.471 2.100 20 10 EECDMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278316752 463961409 /nfs/dbraw/zinc/96/14/09/463961409.db2.gz XLZUKXIWDQBHSL-ZDUSSCGKSA-N 2 1 337.420 2.473 20 10 EECDMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)c1 ZINC000770353276 577594520 /nfs/dbraw/zinc/59/45/20/577594520.db2.gz ZDEJSIPKJCYZDC-SZVBFZGTSA-N 2 1 334.460 2.474 20 10 EECDMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000763613968 577723383 /nfs/dbraw/zinc/72/33/83/577723383.db2.gz KWQINJRNBARHKJ-IBGZPJMESA-N 3 1 330.520 2.355 20 10 EECDMP C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000763613968 577723384 /nfs/dbraw/zinc/72/33/84/577723384.db2.gz KWQINJRNBARHKJ-IBGZPJMESA-N 2 1 330.520 2.355 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000754740189 577811799 /nfs/dbraw/zinc/81/17/99/577811799.db2.gz KJQRRPIUCDEIFX-GVDBMIGSSA-N 2 1 334.460 2.393 20 10 EECDMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000794806302 1198049957 /nfs/dbraw/zinc/04/99/57/1198049957.db2.gz HCDOEKCECKOWNW-WBVHZDCISA-N 2 1 333.476 2.329 20 10 EECDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877653539 1200008445 /nfs/dbraw/zinc/00/84/45/1200008445.db2.gz MRMDNMRZSQUXHV-SFHVURJKSA-N 2 1 331.504 2.469 20 10 EECDMP Oc1ccc(F)cc1C[N@H+]1CCCC2(CN(CCn3ccnc3)C2)C1 ZINC001275913764 1205583331 /nfs/dbraw/zinc/58/33/31/1205583331.db2.gz QWGLHIDKYLNYQN-UHFFFAOYSA-N 2 1 344.434 2.326 20 10 EECDMP CCOC(=O)[C@@]12C[N@@H+](Cc3cc(C)ccc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222130650 1299375438 /nfs/dbraw/zinc/37/54/38/1299375438.db2.gz IFAKOWZDVXFASC-LPHOPBHVSA-N 2 1 332.444 2.065 20 10 EECDMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943044 1305741662 /nfs/dbraw/zinc/74/16/62/1305741662.db2.gz PEXWQGFUXDWQOB-FQEVSTJZSA-N 2 1 346.494 2.105 20 10 EECDMP CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116466352 1305887615 /nfs/dbraw/zinc/88/76/15/1305887615.db2.gz UJPPEUAOTKHRGT-QFBILLFUSA-N 2 1 335.467 2.482 20 10 EECDMP Cc1cnc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1 ZINC001117783490 1306166715 /nfs/dbraw/zinc/16/67/15/1306166715.db2.gz ZKOZHKOQYFXEJZ-UHFFFAOYSA-N 2 1 343.450 2.008 20 10 EECDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139671814 1314756986 /nfs/dbraw/zinc/75/69/86/1314756986.db2.gz MRUPYGXFWBUXSO-UHFFFAOYSA-N 2 1 335.492 2.378 20 10 EECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc(N(C)C)c(C)c1 ZINC001139671814 1314756988 /nfs/dbraw/zinc/75/69/88/1314756988.db2.gz MRUPYGXFWBUXSO-UHFFFAOYSA-N 2 1 335.492 2.378 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1C ZINC001152145311 1316637993 /nfs/dbraw/zinc/63/79/93/1316637993.db2.gz AERYPSRQBSOVKU-IYBDPMFKSA-N 2 1 333.476 2.082 20 10 EECDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4O)C[C@H]3C2)cn1 ZINC001203552893 1321910847 /nfs/dbraw/zinc/91/08/47/1321910847.db2.gz UTCJLHALVKVSFS-SJLPKXTDSA-N 2 1 326.444 2.080 20 10 EECDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4O)C[C@H]3C2)cn1 ZINC001203552893 1321910851 /nfs/dbraw/zinc/91/08/51/1321910851.db2.gz UTCJLHALVKVSFS-SJLPKXTDSA-N 2 1 326.444 2.080 20 10 EECDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccccc4O)C[C@H]3C2)cn1 ZINC001203552893 1321910852 /nfs/dbraw/zinc/91/08/52/1321910852.db2.gz UTCJLHALVKVSFS-SJLPKXTDSA-N 2 1 326.444 2.080 20 10 EECDMP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccccc4O)C[C@H]3C2)cn1 ZINC001203552893 1321910853 /nfs/dbraw/zinc/91/08/53/1321910853.db2.gz UTCJLHALVKVSFS-SJLPKXTDSA-N 2 1 326.444 2.080 20 10 EECDMP CCOc1cccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)c1O ZINC001203610095 1321922547 /nfs/dbraw/zinc/92/25/47/1321922547.db2.gz VDSCICCGIBQKMJ-UHFFFAOYSA-N 2 1 338.448 2.108 20 10 EECDMP CCOc1cccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)c1O ZINC001203610095 1321922548 /nfs/dbraw/zinc/92/25/48/1321922548.db2.gz VDSCICCGIBQKMJ-UHFFFAOYSA-N 2 1 338.448 2.108 20 10 EECDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210811136 1325445313 /nfs/dbraw/zinc/44/53/13/1325445313.db2.gz JTGVUTPVFAQITO-SFHVURJKSA-N 2 1 347.503 2.426 20 10 EECDMP CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318740678 1332585173 /nfs/dbraw/zinc/58/51/73/1332585173.db2.gz TZDDYRJJCGTZKG-HNAYVOBHSA-N 2 1 337.483 2.464 20 10 EECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC001325321794 1333863448 /nfs/dbraw/zinc/86/34/48/1333863448.db2.gz ZSHNLKQWJBIVLT-RDJZCZTQSA-N 3 1 334.483 2.055 20 10 EECDMP C[NH2+]C[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001345944574 1337476610 /nfs/dbraw/zinc/47/66/10/1337476610.db2.gz RTMTZCGHNUZDTE-QGZVFWFLSA-N 2 1 334.483 2.009 20 10 EECDMP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001755236119 1407244806 /nfs/dbraw/zinc/24/48/06/1407244806.db2.gz DNYUCVQXIQPBCC-JKSUJKDBSA-N 2 1 347.503 2.471 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843056933 790914597 /nfs/dbraw/zinc/91/45/97/790914597.db2.gz CPQFQCZODWQXTA-VHSXEESVSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1O ZINC000843056933 790914606 /nfs/dbraw/zinc/91/46/06/790914606.db2.gz CPQFQCZODWQXTA-VHSXEESVSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cccnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825249663 788535783 /nfs/dbraw/zinc/53/57/83/788535783.db2.gz MPSHPYSCCKYBLQ-UHFFFAOYSA-N 2 1 326.444 2.132 20 10 EECDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179861145 800148277 /nfs/dbraw/zinc/14/82/77/800148277.db2.gz NENZYIBAKBQPKB-WMZOPIPTSA-N 2 1 347.503 2.424 20 10 EECDMP CCOc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367472715 466363180 /nfs/dbraw/zinc/36/31/80/466363180.db2.gz UENCIHNSSGCUAP-KRWDZBQOSA-N 2 1 333.476 2.003 20 10 EECDMP CCOc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367472715 466363184 /nfs/dbraw/zinc/36/31/84/466363184.db2.gz UENCIHNSSGCUAP-KRWDZBQOSA-N 2 1 333.476 2.003 20 10 EECDMP COC(=O)c1occc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895607105 684661406 /nfs/dbraw/zinc/66/14/06/684661406.db2.gz LCQREBXWMPHINV-UHFFFAOYSA-N 2 1 343.427 2.108 20 10 EECDMP CN(C)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1F ZINC000877747409 1200072008 /nfs/dbraw/zinc/07/20/08/1200072008.db2.gz KKEYQWSEYIVJLX-UHFFFAOYSA-N 2 1 334.483 2.104 20 10 EECDMP OC1CCN(c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000850567899 1277268355 /nfs/dbraw/zinc/26/83/55/1277268355.db2.gz LPKXTZRSBGHMIA-UHFFFAOYSA-N 2 1 329.488 2.364 20 10 EECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850565835 1277268414 /nfs/dbraw/zinc/26/84/14/1277268414.db2.gz IDYUBUSBAKBMQG-OXQOHEQNSA-N 2 1 331.504 2.468 20 10 EECDMP Oc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH2+]C[C@@]12CC[NH2+]C2 ZINC001234995649 1305078292 /nfs/dbraw/zinc/07/82/92/1305078292.db2.gz YCIYVPKFBXTYHO-FQEVSTJZSA-N 2 1 341.430 2.336 20 10 EECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc(O)c(Br)cc3O)C[C@@H]2C1 ZINC001236767812 1305667859 /nfs/dbraw/zinc/66/78/59/1305667859.db2.gz VVCBRPMRGYYDMF-PWSUYJOCSA-N 2 1 341.249 2.244 20 10 EECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc(O)c(Br)cc3O)C[C@@H]2C1 ZINC001236767812 1305667866 /nfs/dbraw/zinc/66/78/66/1305667866.db2.gz VVCBRPMRGYYDMF-PWSUYJOCSA-N 2 1 341.249 2.244 20 10 EECDMP C[N@@H+]1CC[C@@H]2C[NH+](Cc3cc(O)c(Br)cc3O)C[C@@H]2C1 ZINC001236767812 1305667852 /nfs/dbraw/zinc/66/78/52/1305667852.db2.gz VVCBRPMRGYYDMF-PWSUYJOCSA-N 2 1 341.249 2.244 20 10 EECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc(O)c(Br)cc3O)C[C@@H]2C1 ZINC001236767812 1305667869 /nfs/dbraw/zinc/66/78/69/1305667869.db2.gz VVCBRPMRGYYDMF-PWSUYJOCSA-N 2 1 341.249 2.244 20 10 EECDMP CC[NH+](CC)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116439941 1305884606 /nfs/dbraw/zinc/88/46/06/1305884606.db2.gz YULHUJQZJXPNRH-GOSISDBHSA-N 2 1 348.510 2.494 20 10 EECDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC001118139278 1306290569 /nfs/dbraw/zinc/29/05/69/1306290569.db2.gz GOTQNDRTGATFPB-IBGZPJMESA-N 2 1 340.471 2.001 20 10 EECDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001118139278 1306290577 /nfs/dbraw/zinc/29/05/77/1306290577.db2.gz GOTQNDRTGATFPB-IBGZPJMESA-N 2 1 340.471 2.001 20 10 EECDMP COc1cc(C[N@H+]2CCCC[C@](O)(CF)C2)cc(C[NH+](C)C)c1O ZINC001139253484 1314721376 /nfs/dbraw/zinc/72/13/76/1314721376.db2.gz VSGCVAWWIXBAEU-SFHVURJKSA-N 2 1 340.439 2.149 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H](c3nc(C)no3)C2)cc(C[NH+](C)C)c1O ZINC001139258936 1314722916 /nfs/dbraw/zinc/72/29/16/1314722916.db2.gz BKCQZRILJLPDCK-AWEZNQCLSA-N 2 1 346.431 2.143 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]4C3)cc2)CC1 ZINC001140306764 1314863491 /nfs/dbraw/zinc/86/34/91/1314863491.db2.gz XAKRHGVGOAAGKM-AZUAARDMSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[NH2+]C4(CCC4)C3)cc2)CC1 ZINC000841090037 1315472438 /nfs/dbraw/zinc/47/24/38/1315472438.db2.gz TZTPULYWHJPEKS-GOSISDBHSA-N 2 1 328.504 2.203 20 10 EECDMP CC[NH+](CC)C1CC[NH+](Cc2ccc(CC(=O)OC)cc2O)CC1 ZINC001249201383 1317020667 /nfs/dbraw/zinc/02/06/67/1317020667.db2.gz QRPUHLKRCLQVLL-UHFFFAOYSA-N 2 1 334.460 2.414 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)C[N@H+]2CCC[C@H]2C)cc1C ZINC001166627450 1321753887 /nfs/dbraw/zinc/75/38/87/1321753887.db2.gz VXFRLODGIWFWLP-MRXNPFEDSA-N 2 1 333.476 2.084 20 10 EECDMP C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322446782 1333264695 /nfs/dbraw/zinc/26/46/95/1333264695.db2.gz RHNFALVWMUZYQB-DOTOQJQBSA-N 2 1 335.467 2.340 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3CCO)cc2F)CC1 ZINC001324211290 1333635939 /nfs/dbraw/zinc/63/59/39/1333635939.db2.gz VMTIADBUFMJKCV-FUHWJXTLSA-N 2 1 335.467 2.218 20 10 EECDMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2c[nH+]cc2C)cc1C ZINC001755595591 1407666692 /nfs/dbraw/zinc/66/66/92/1407666692.db2.gz SLVXUBVQIJRETA-HNNXBMFYSA-N 2 1 344.459 2.145 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)C34CCCC4)cc2)CC1 ZINC000816630350 784140636 /nfs/dbraw/zinc/14/06/36/784140636.db2.gz BHGBEPJDFTZLPU-IBGZPJMESA-N 2 1 329.488 2.318 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2)CC1 ZINC000843126114 794647645 /nfs/dbraw/zinc/64/76/45/794647645.db2.gz GPWWIEYGFMACDX-HXUWFJFHSA-N 2 1 342.531 2.260 20 10 EECDMP COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC001205150550 796301190 /nfs/dbraw/zinc/30/11/90/796301190.db2.gz FEQRRQRCTDAHLI-VHSXEESVSA-N 2 1 329.238 2.190 20 10 EECDMP COc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(Br)c1 ZINC001205150550 796301198 /nfs/dbraw/zinc/30/11/98/796301198.db2.gz FEQRRQRCTDAHLI-VHSXEESVSA-N 2 1 329.238 2.190 20 10 EECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001169091614 803618742 /nfs/dbraw/zinc/61/87/42/803618742.db2.gz SZQVKVYYKUGUAL-VJDPLVQDSA-N 3 1 328.504 2.153 20 10 EECDMP COc1cc(Cl)cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000282169397 464720954 /nfs/dbraw/zinc/72/09/54/464720954.db2.gz DZHJZUXOXRBUOE-UHFFFAOYSA-N 2 1 341.883 2.170 20 10 EECDMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834870 467149072 /nfs/dbraw/zinc/14/90/72/467149072.db2.gz OVOUKNVQWIOEQG-QUCCMNQESA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834870 467149074 /nfs/dbraw/zinc/14/90/74/467149074.db2.gz OVOUKNVQWIOEQG-QUCCMNQESA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834870 467149077 /nfs/dbraw/zinc/14/90/77/467149077.db2.gz OVOUKNVQWIOEQG-QUCCMNQESA-N 2 1 329.488 2.439 20 10 EECDMP CC(C)OC[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000770687161 577601762 /nfs/dbraw/zinc/60/17/62/577601762.db2.gz CVTIVRBJRAUJQO-FQEVSTJZSA-N 2 1 347.503 2.064 20 10 EECDMP CC(C)OC[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000770687161 577601763 /nfs/dbraw/zinc/60/17/63/577601763.db2.gz CVTIVRBJRAUJQO-FQEVSTJZSA-N 2 1 347.503 2.064 20 10 EECDMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876989105 1199837428 /nfs/dbraw/zinc/83/74/28/1199837428.db2.gz UYCJIBRTMWIHJQ-GOSISDBHSA-N 2 1 331.504 2.469 20 10 EECDMP Cc1cccc(O)c1C[N@@H+]1CCCC[C@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274303753 1204991469 /nfs/dbraw/zinc/99/14/69/1204991469.db2.gz MFNXGLNXIKUNTH-HXUWFJFHSA-N 2 1 345.487 2.219 20 10 EECDMP CN(C)C(=O)C[N@H+]1CCCC2(CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001275267006 1205294303 /nfs/dbraw/zinc/29/43/03/1205294303.db2.gz IBLRPYDQJRCZIE-UHFFFAOYSA-N 2 1 345.487 2.158 20 10 EECDMP Cc1c(O)ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1O ZINC001276118136 1205782240 /nfs/dbraw/zinc/78/22/40/1205782240.db2.gz PCRXYHPLCIURGM-UXHICEINSA-N 2 1 347.503 2.492 20 10 EECDMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000863647340 1296363767 /nfs/dbraw/zinc/36/37/67/1296363767.db2.gz IPVLBPYWOKZVCL-UHFFFAOYSA-N 2 1 331.254 2.131 20 10 EECDMP C[NH+](C)CCN1CC2(C1)C[NH+](Cc1cc(C(F)(F)F)ccc1O)C2 ZINC001276838467 1299861001 /nfs/dbraw/zinc/86/10/01/1299861001.db2.gz XXLZXFMAXUWPPG-UHFFFAOYSA-N 2 1 343.393 2.090 20 10 EECDMP [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001236073173 1305492259 /nfs/dbraw/zinc/49/22/59/1305492259.db2.gz LPIPGALHVREXKY-HXUWFJFHSA-N 2 1 328.504 2.284 20 10 EECDMP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)C1 ZINC001117686720 1306145880 /nfs/dbraw/zinc/14/58/80/1306145880.db2.gz OMUKWZKISQZPCQ-HXUWFJFHSA-N 2 1 346.494 2.105 20 10 EECDMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)C1 ZINC001117686720 1306145883 /nfs/dbraw/zinc/14/58/83/1306145883.db2.gz OMUKWZKISQZPCQ-HXUWFJFHSA-N 2 1 346.494 2.105 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256109 1314721868 /nfs/dbraw/zinc/72/18/68/1314721868.db2.gz UCWPKCIWVKXMEA-QAPCUYQASA-N 2 1 334.460 2.463 20 10 EECDMP Cc1cc(N(C)C)ccc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000840933892 1315440046 /nfs/dbraw/zinc/44/00/46/1315440046.db2.gz UOVVLYBQSSUPIX-LJQANCHMSA-N 2 1 346.519 2.093 20 10 EECDMP Cc1cc(N(C)C)ccc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000840933892 1315440052 /nfs/dbraw/zinc/44/00/52/1315440052.db2.gz UOVVLYBQSSUPIX-LJQANCHMSA-N 2 1 346.519 2.093 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124798 1315848645 /nfs/dbraw/zinc/84/86/45/1315848645.db2.gz GUKUPZZCFQMJPS-WOJBJXKFSA-N 3 1 342.531 2.260 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124798 1315848647 /nfs/dbraw/zinc/84/86/47/1315848647.db2.gz GUKUPZZCFQMJPS-WOJBJXKFSA-N 2 1 342.531 2.260 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124798 1315848649 /nfs/dbraw/zinc/84/86/49/1315848649.db2.gz GUKUPZZCFQMJPS-WOJBJXKFSA-N 2 1 342.531 2.260 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556000 1323531887 /nfs/dbraw/zinc/53/18/87/1323531887.db2.gz MDBJWUFEYZNEFN-FQEVSTJZSA-N 3 1 330.520 2.389 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556000 1323531893 /nfs/dbraw/zinc/53/18/93/1323531893.db2.gz MDBJWUFEYZNEFN-FQEVSTJZSA-N 2 1 330.520 2.389 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556000 1323531898 /nfs/dbraw/zinc/53/18/98/1323531898.db2.gz MDBJWUFEYZNEFN-FQEVSTJZSA-N 2 1 330.520 2.389 20 10 EECDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203215032 780943249 /nfs/dbraw/zinc/94/32/49/780943249.db2.gz QOWVOACNIIKZQD-UHFFFAOYSA-N 2 1 347.503 2.426 20 10 EECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1CC[NH3+] ZINC000844902038 789444205 /nfs/dbraw/zinc/44/42/05/789444205.db2.gz NCIMFLJXWUIXKL-XLIONFOSSA-N 3 1 330.520 2.388 20 10 EECDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1CC[NH3+] ZINC000844902038 789444209 /nfs/dbraw/zinc/44/42/09/789444209.db2.gz NCIMFLJXWUIXKL-XLIONFOSSA-N 2 1 330.520 2.388 20 10 EECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1CC[NH3+] ZINC000844902038 789444215 /nfs/dbraw/zinc/44/42/15/789444215.db2.gz NCIMFLJXWUIXKL-XLIONFOSSA-N 2 1 330.520 2.388 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1C ZINC001130190018 811284135 /nfs/dbraw/zinc/28/41/35/811284135.db2.gz VHVMQSNBQUHKSB-QZTJIDSGSA-N 2 1 345.487 2.226 20 10 EECDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891243760 676235159 /nfs/dbraw/zinc/23/51/59/676235159.db2.gz UVSMYBYHYAWZPB-RTBURBONSA-N 2 1 346.519 2.344 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2F)CC1 ZINC000892906593 683186024 /nfs/dbraw/zinc/18/60/24/683186024.db2.gz UJNIKOATKTUNPI-UHFFFAOYSA-N 2 1 348.510 2.399 20 10 EECDMP CN(C)c1ccc([C@@H](CNc2cc[nH+]c(N(C)C)n2)[NH+](C)C)cc1 ZINC000897524812 690905527 /nfs/dbraw/zinc/90/55/27/690905527.db2.gz DXHXFAVGHJNWPE-MRXNPFEDSA-N 2 1 328.464 2.323 20 10 EECDMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877546874 1199962407 /nfs/dbraw/zinc/96/24/07/1199962407.db2.gz XRXGFTPMKONCIY-FQEVSTJZSA-N 2 1 329.488 2.175 20 10 EECDMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877546874 1199962408 /nfs/dbraw/zinc/96/24/08/1199962408.db2.gz XRXGFTPMKONCIY-FQEVSTJZSA-N 2 1 329.488 2.175 20 10 EECDMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877546874 1199962409 /nfs/dbraw/zinc/96/24/09/1199962409.db2.gz XRXGFTPMKONCIY-FQEVSTJZSA-N 2 1 329.488 2.175 20 10 EECDMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100831290 1259315127 /nfs/dbraw/zinc/31/51/27/1259315127.db2.gz PNORDGOVDNNRBW-UHFFFAOYSA-N 2 1 347.503 2.330 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CCC[NH2+]C4)C3)cc2)CC1 ZINC001222265468 1299445423 /nfs/dbraw/zinc/44/54/23/1299445423.db2.gz UCMJGEKYNOVHGH-NRFANRHFSA-N 3 1 342.531 2.404 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[C@]4(CCC[NH2+]C4)C3)cc2)CC1 ZINC001222265468 1299445427 /nfs/dbraw/zinc/44/54/27/1299445427.db2.gz UCMJGEKYNOVHGH-NRFANRHFSA-N 2 1 342.531 2.404 20 10 EECDMP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)cc1O ZINC001231638903 1303874716 /nfs/dbraw/zinc/87/47/16/1303874716.db2.gz BYUUSAXXQHTKAL-CQSZACIVSA-N 2 1 330.384 2.463 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3C)C2)c(O)cc1O ZINC001231638903 1303874721 /nfs/dbraw/zinc/87/47/21/1303874721.db2.gz BYUUSAXXQHTKAL-CQSZACIVSA-N 2 1 330.384 2.463 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1O ZINC001236931474 1305734014 /nfs/dbraw/zinc/73/40/14/1305734014.db2.gz KRWVMQWWWLQOJY-HNAYVOBHSA-N 2 1 335.467 2.170 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@](C)(CO)CC2)cc(C[NH+](C)C)c1O ZINC001139254368 1314722188 /nfs/dbraw/zinc/72/21/88/1314722188.db2.gz IMODKHUBHBURRH-IBGZPJMESA-N 2 1 336.476 2.447 20 10 EECDMP CC[N@H+](CCN1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409462 1314740977 /nfs/dbraw/zinc/74/09/77/1314740977.db2.gz LKUXSECMGWRWIF-UHFFFAOYSA-N 2 1 330.520 2.356 20 10 EECDMP CC[N@@H+](CCN1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409462 1314740979 /nfs/dbraw/zinc/74/09/79/1314740979.db2.gz LKUXSECMGWRWIF-UHFFFAOYSA-N 2 1 330.520 2.356 20 10 EECDMP COC(=O)CC[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412809 1314741553 /nfs/dbraw/zinc/74/15/53/1314741553.db2.gz OFRJHMBXHSUZCT-SFHVURJKSA-N 2 1 345.487 2.214 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C)[C@@H](O)CC3)cc2)CC1 ZINC001140301965 1314860216 /nfs/dbraw/zinc/86/02/16/1314860216.db2.gz FZEYXCBFLOOYNX-PXNSSMCTSA-N 2 1 331.504 2.421 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1(O)CCCC1 ZINC001254010998 1317982184 /nfs/dbraw/zinc/98/21/84/1317982184.db2.gz QXUDNHVOZXKFPK-UHFFFAOYSA-N 2 1 335.467 2.314 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1(O)CCCC1 ZINC001254010998 1317982187 /nfs/dbraw/zinc/98/21/87/1317982187.db2.gz QXUDNHVOZXKFPK-UHFFFAOYSA-N 2 1 335.467 2.314 20 10 EECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)CC1 ZINC001205248701 1322329854 /nfs/dbraw/zinc/32/98/54/1322329854.db2.gz RNZVBPWOSDXRDV-HNNXBMFYSA-N 2 1 348.365 2.009 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205626249 1323220991 /nfs/dbraw/zinc/22/09/91/1323220991.db2.gz FBBNGPMPEODWAN-AEFFLSMTSA-N 2 1 331.504 2.455 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206003698 1323366725 /nfs/dbraw/zinc/36/67/25/1323366725.db2.gz LKMQFLVPYLWBAT-AEFFLSMTSA-N 2 1 331.504 2.455 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@H]3C)cc2)CC1 ZINC001206769075 1323586799 /nfs/dbraw/zinc/58/67/99/1323586799.db2.gz NGGRDCCOLQALNT-IEBWSBKVSA-N 3 1 330.520 2.388 20 10 EECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c2nccn21 ZINC000825017764 788397556 /nfs/dbraw/zinc/39/75/56/788397556.db2.gz YUWBMWWNTICMTG-YJBOKZPZSA-N 2 1 325.460 2.431 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225004 788915608 /nfs/dbraw/zinc/91/56/08/788915608.db2.gz SYYJRXABWBGQBN-JFIYKMOQSA-N 2 1 346.519 2.016 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225004 788915613 /nfs/dbraw/zinc/91/56/13/788915613.db2.gz SYYJRXABWBGQBN-JFIYKMOQSA-N 2 1 346.519 2.016 20 10 EECDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921716150 795597153 /nfs/dbraw/zinc/59/71/53/795597153.db2.gz KVEKTZTYYDWSHF-UHFFFAOYSA-N 2 1 345.487 2.044 20 10 EECDMP O=C1CC[C@@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)CCN12 ZINC001172164317 796909087 /nfs/dbraw/zinc/90/90/87/796909087.db2.gz ZFGWZKJWPZNZIC-QZTJIDSGSA-N 2 1 343.471 2.100 20 10 EECDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435252 464582988 /nfs/dbraw/zinc/58/29/88/464582988.db2.gz NCUNLNFCWDHHLC-UYAOXDASSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435252 464582993 /nfs/dbraw/zinc/58/29/93/464582993.db2.gz NCUNLNFCWDHHLC-UYAOXDASSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435252 464582997 /nfs/dbraw/zinc/58/29/97/464582997.db2.gz NCUNLNFCWDHHLC-UYAOXDASSA-N 2 1 329.488 2.439 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000362688186 465942553 /nfs/dbraw/zinc/94/25/53/465942553.db2.gz SWXHOCPMGOVKFE-MJGOQNOKSA-N 2 1 331.504 2.467 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370698978 466970770 /nfs/dbraw/zinc/97/07/70/466970770.db2.gz KJTHNUBUADOSHB-APWZRJJASA-N 2 1 347.503 2.249 20 10 EECDMP COc1cc(C)cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1O ZINC000894241890 681462232 /nfs/dbraw/zinc/46/22/32/681462232.db2.gz ODEDIEBQBYENCD-UHFFFAOYSA-N 2 1 335.492 2.072 20 10 EECDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c1O ZINC001273049340 1194352610 /nfs/dbraw/zinc/35/26/10/1194352610.db2.gz UNTVHPDSIGYGDA-FQEVSTJZSA-N 2 1 345.487 2.138 20 10 EECDMP Cc1ccc(C)c(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001275968792 1205608092 /nfs/dbraw/zinc/60/80/92/1205608092.db2.gz NAIXHMSCDNGVKS-UHFFFAOYSA-N 2 1 331.504 2.468 20 10 EECDMP C[NH+](C)CCN1CC[N@@H+](Cc2cc3ccccc3cc2O)CCC1=O ZINC001236833081 1305693076 /nfs/dbraw/zinc/69/30/76/1305693076.db2.gz OEEWCNDUOFPXPC-UHFFFAOYSA-N 2 1 341.455 2.141 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@](C)(CO)CC2)cc(C[NH+](C)C)c1O ZINC001139254369 1314721972 /nfs/dbraw/zinc/72/19/72/1314721972.db2.gz IMODKHUBHBURRH-LJQANCHMSA-N 2 1 336.476 2.447 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CCOC4)C3)cc2)CC1 ZINC001139408024 1314740311 /nfs/dbraw/zinc/74/03/11/1314740311.db2.gz IPPSDDPPAJUCEW-HXUWFJFHSA-N 2 1 329.488 2.441 20 10 EECDMP Cc1ncc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001139410815 1314740952 /nfs/dbraw/zinc/74/09/52/1314740952.db2.gz GEHIGWKBTHFJEL-UHFFFAOYSA-N 2 1 325.460 2.169 20 10 EECDMP COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139411425 1314741167 /nfs/dbraw/zinc/74/11/67/1314741167.db2.gz LECQGQIOSQJSAH-GOSISDBHSA-N 2 1 345.487 2.214 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(=O)[C@H](F)CC3)cc2)CC1 ZINC001140302435 1314861467 /nfs/dbraw/zinc/86/14/67/1314861467.db2.gz RFOBECREKRDMNK-GOSISDBHSA-N 2 1 333.451 2.332 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC(=O)[C@H](F)CC3)cc2)CC1 ZINC001140302435 1314861469 /nfs/dbraw/zinc/86/14/69/1314861469.db2.gz RFOBECREKRDMNK-GOSISDBHSA-N 2 1 333.451 2.332 20 10 EECDMP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001254051871 1317992907 /nfs/dbraw/zinc/99/29/07/1317992907.db2.gz GCOGVRWUAGYXBA-WBVHZDCISA-N 2 1 335.467 2.482 20 10 EECDMP C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322446783 1333264474 /nfs/dbraw/zinc/26/44/74/1333264474.db2.gz RHNFALVWMUZYQB-NVXWUHKLSA-N 2 1 335.467 2.340 20 10 EECDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326230791 1334048342 /nfs/dbraw/zinc/04/83/42/1334048342.db2.gz FVPNABQDCOIQBI-SFHVURJKSA-N 2 1 336.499 2.383 20 10 EECDMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326230791 1334048347 /nfs/dbraw/zinc/04/83/47/1334048347.db2.gz FVPNABQDCOIQBI-SFHVURJKSA-N 3 1 336.499 2.383 20 10 EECDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326230791 1334048348 /nfs/dbraw/zinc/04/83/48/1334048348.db2.gz FVPNABQDCOIQBI-SFHVURJKSA-N 3 1 336.499 2.383 20 10 EECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1CC[NH3+] ZINC000844902036 789443085 /nfs/dbraw/zinc/44/30/85/789443085.db2.gz NCIMFLJXWUIXKL-PXNSSMCTSA-N 3 1 330.520 2.388 20 10 EECDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1CC[NH3+] ZINC000844902036 789443090 /nfs/dbraw/zinc/44/30/90/789443090.db2.gz NCIMFLJXWUIXKL-PXNSSMCTSA-N 2 1 330.520 2.388 20 10 EECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@H]1CC[NH3+] ZINC000844902036 789443094 /nfs/dbraw/zinc/44/30/94/789443094.db2.gz NCIMFLJXWUIXKL-PXNSSMCTSA-N 2 1 330.520 2.388 20 10 EECDMP CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1O ZINC000093132931 237043972 /nfs/dbraw/zinc/04/39/72/237043972.db2.gz LDWSZJJJKMMHSY-KRWDZBQOSA-N 2 1 333.476 2.003 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000093133278 237044172 /nfs/dbraw/zinc/04/41/72/237044172.db2.gz IFMQHGOSJLOGQM-QGZVFWFLSA-N 2 1 333.476 2.003 20 10 EECDMP CCN(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000773775106 577364010 /nfs/dbraw/zinc/36/40/10/577364010.db2.gz WOCWNKJVEBFSMD-FQEVSTJZSA-N 2 1 330.520 2.355 20 10 EECDMP CCN(C)c1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000773775106 577364011 /nfs/dbraw/zinc/36/40/11/577364011.db2.gz WOCWNKJVEBFSMD-FQEVSTJZSA-N 2 1 330.520 2.355 20 10 EECDMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775736648 577444282 /nfs/dbraw/zinc/44/42/82/577444282.db2.gz WAKBFJXADVRMBE-RTWAWAEBSA-N 2 1 342.531 2.497 20 10 EECDMP COc1cc(C)cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000894766636 683081461 /nfs/dbraw/zinc/08/14/61/683081461.db2.gz QWTJHFSYZJNMQM-UHFFFAOYSA-N 2 1 335.492 2.167 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001034885160 1196831041 /nfs/dbraw/zinc/83/10/41/1196831041.db2.gz PPCCDVIEUFFUDS-QZTJIDSGSA-N 2 1 345.487 2.178 20 10 EECDMP Cn1c(Cl)cnc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283921 1202040232 /nfs/dbraw/zinc/04/02/32/1202040232.db2.gz YZBRJIBBFXIZID-UHFFFAOYSA-N 2 1 333.867 2.115 20 10 EECDMP CCc1ccc(C[N@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c(O)c1 ZINC001274653397 1205117112 /nfs/dbraw/zinc/11/71/12/1205117112.db2.gz JUZDEUZPBOZMOW-HXUWFJFHSA-N 2 1 345.487 2.083 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC4(CN(C)C4)C3)cc2)CC1 ZINC001275194451 1205278652 /nfs/dbraw/zinc/27/86/52/1205278652.db2.gz QWFALJUGVCXJIX-UHFFFAOYSA-N 2 1 342.531 2.356 20 10 EECDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N(C)C)cc3)C[C@H]2CC1 ZINC001275834059 1205557229 /nfs/dbraw/zinc/55/72/29/1205557229.db2.gz SHJRTHLGGUSZGF-BGYRXZFFSA-N 2 1 344.547 2.458 20 10 EECDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@H]2CC1 ZINC001275834059 1205557233 /nfs/dbraw/zinc/55/72/33/1205557233.db2.gz SHJRTHLGGUSZGF-BGYRXZFFSA-N 2 1 344.547 2.458 20 10 EECDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N(C)C)cc3)C[C@H]2CC1 ZINC001275834059 1205557234 /nfs/dbraw/zinc/55/72/34/1205557234.db2.gz SHJRTHLGGUSZGF-BGYRXZFFSA-N 2 1 344.547 2.458 20 10 EECDMP CN(C)c1ccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)cc1 ZINC001275834059 1205557236 /nfs/dbraw/zinc/55/72/36/1205557236.db2.gz SHJRTHLGGUSZGF-BGYRXZFFSA-N 2 1 344.547 2.458 20 10 EECDMP CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)cc1 ZINC001275834059 1205557238 /nfs/dbraw/zinc/55/72/38/1205557238.db2.gz SHJRTHLGGUSZGF-BGYRXZFFSA-N 2 1 344.547 2.458 20 10 EECDMP Cc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001276079626 1205763279 /nfs/dbraw/zinc/76/32/79/1205763279.db2.gz BKYFINMRQIAWOY-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001276079626 1205763280 /nfs/dbraw/zinc/76/32/80/1205763280.db2.gz BKYFINMRQIAWOY-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1cccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001276079626 1205763282 /nfs/dbraw/zinc/76/32/82/1205763282.db2.gz BKYFINMRQIAWOY-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1cccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001276079626 1205763283 /nfs/dbraw/zinc/76/32/83/1205763283.db2.gz BKYFINMRQIAWOY-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1cccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001276079626 1205763285 /nfs/dbraw/zinc/76/32/85/1205763285.db2.gz BKYFINMRQIAWOY-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP COc1ccc(N2CCC([NH2+]CCC[NH+]3CCC(O)CC3)CC2)cc1 ZINC000305141401 1216150390 /nfs/dbraw/zinc/15/03/90/1216150390.db2.gz QGALEVRPOKXSBI-UHFFFAOYSA-N 2 1 347.503 2.100 20 10 EECDMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(C)cc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222130976 1299373899 /nfs/dbraw/zinc/37/38/99/1299373899.db2.gz MKQJMJUPKQTOTD-LPHOPBHVSA-N 2 1 332.444 2.065 20 10 EECDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC001276876180 1300041558 /nfs/dbraw/zinc/04/15/58/1300041558.db2.gz RLVIXOUKCJKJEM-UHFFFAOYSA-N 2 1 342.531 2.356 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC4(CC[N@H+](C)C4)CC3)cc2)CC1 ZINC001276876180 1300041569 /nfs/dbraw/zinc/04/15/69/1300041569.db2.gz RLVIXOUKCJKJEM-UHFFFAOYSA-N 2 1 342.531 2.356 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC4(CC[N@@H+](C)C4)CC3)cc2)CC1 ZINC001276876180 1300041579 /nfs/dbraw/zinc/04/15/79/1300041579.db2.gz RLVIXOUKCJKJEM-UHFFFAOYSA-N 2 1 342.531 2.356 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCN[C@@H](c3ccccc3)C1)C[NH2+]CCO2 ZINC001235857526 1305426711 /nfs/dbraw/zinc/42/67/11/1305426711.db2.gz VETVELYPHZLXNT-GOSISDBHSA-N 2 1 339.439 2.021 20 10 EECDMP Oc1cc2c(cc1CN1CC[NH2+][C@@H](c3ccccc3)C1)C[NH2+]CCO2 ZINC001235857526 1305426720 /nfs/dbraw/zinc/42/67/20/1305426720.db2.gz VETVELYPHZLXNT-GOSISDBHSA-N 2 1 339.439 2.021 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CN(C)C)cc2)CC1 ZINC001140303862 1314861340 /nfs/dbraw/zinc/86/13/40/1314861340.db2.gz BZUIYVCQBFSYJC-FQEVSTJZSA-N 2 1 330.520 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[C@H]3C[NH+](C)C)cc2)CC1 ZINC001140303862 1314861345 /nfs/dbraw/zinc/86/13/45/1314861345.db2.gz BZUIYVCQBFSYJC-FQEVSTJZSA-N 2 1 330.520 2.355 20 10 EECDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC001205771990 1323292957 /nfs/dbraw/zinc/29/29/57/1323292957.db2.gz XPJSTTAQEQJENC-OAHLLOKOSA-N 2 1 339.430 2.064 20 10 EECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC001205771990 1323292963 /nfs/dbraw/zinc/29/29/63/1323292963.db2.gz XPJSTTAQEQJENC-OAHLLOKOSA-N 2 1 339.430 2.064 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001206002732 1323367395 /nfs/dbraw/zinc/36/73/95/1323367395.db2.gz AAIKOYWFQLQOQE-ZBFHGGJFSA-N 3 1 335.492 2.269 20 10 EECDMP CCC[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319683650 1332741246 /nfs/dbraw/zinc/74/12/46/1332741246.db2.gz LPRXHJPOMAWCTQ-UHFFFAOYSA-N 2 1 334.483 2.105 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC([C@H]4CCOC4)C3)cc2F)CC1 ZINC001321042474 1333004398 /nfs/dbraw/zinc/00/43/98/1333004398.db2.gz IGZNSFQSZKWRII-INIZCTEOSA-N 2 1 333.451 2.046 20 10 EECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCCOC1 ZINC001323583724 1333492794 /nfs/dbraw/zinc/49/27/94/1333492794.db2.gz VKDXCTGGTFJSBO-RDJZCZTQSA-N 2 1 335.467 2.482 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](CCCO)C3)cc2F)CC1 ZINC001324438448 1333682813 /nfs/dbraw/zinc/68/28/13/1333682813.db2.gz LJCHWDDXYNAYEX-INIZCTEOSA-N 2 1 335.467 2.172 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CCCO)C3)cc2F)CC1 ZINC001324438448 1333682818 /nfs/dbraw/zinc/68/28/18/1333682818.db2.gz LJCHWDDXYNAYEX-INIZCTEOSA-N 2 1 335.467 2.172 20 10 EECDMP CCCN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CC[NH2+]C1 ZINC001329428917 1334647930 /nfs/dbraw/zinc/64/79/30/1334647930.db2.gz VPEUTNCJPISGTJ-KRWDZBQOSA-N 2 1 334.483 2.151 20 10 EECDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287573 1372557523 /nfs/dbraw/zinc/55/75/23/1372557523.db2.gz YXIOYXMKSSDPAR-FXAWDEMLSA-N 2 1 329.488 2.174 20 10 EECDMP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)Cn2cc[nH+]c2C)cc1C ZINC001755617053 1407684544 /nfs/dbraw/zinc/68/45/44/1407684544.db2.gz DKTFXSGHBGGZQI-HNNXBMFYSA-N 2 1 344.459 2.145 20 10 EECDMP Cc1cc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)ccc1N(C)C ZINC000844338437 789011456 /nfs/dbraw/zinc/01/14/56/789011456.db2.gz ONINZHBYGOTTQA-UHFFFAOYSA-N 2 1 331.504 2.388 20 10 EECDMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1N1CCOCC1 ZINC000727466662 576428706 /nfs/dbraw/zinc/42/87/06/576428706.db2.gz AONAVJFRLPAKLU-SJORKVTESA-N 2 1 333.451 2.379 20 10 EECDMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1N1CCOCC1 ZINC000727466662 576428708 /nfs/dbraw/zinc/42/87/08/576428708.db2.gz AONAVJFRLPAKLU-SJORKVTESA-N 2 1 333.451 2.379 20 10 EECDMP COc1c(O)c(C[N@H+]2CCC[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000774875635 577421592 /nfs/dbraw/zinc/42/15/92/577421592.db2.gz LUCKCWDLMOHXAM-ZDUSSCGKSA-N 2 1 332.360 2.343 20 10 EECDMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000775498854 577438499 /nfs/dbraw/zinc/43/84/99/577438499.db2.gz ONPYFPCNNNECJJ-HNNXBMFYSA-N 2 1 339.867 2.250 20 10 EECDMP CCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(O)c1 ZINC000769379648 577576598 /nfs/dbraw/zinc/57/65/98/577576598.db2.gz DAEMKIKEWDSBAM-QGZVFWFLSA-N 2 1 333.476 2.003 20 10 EECDMP CCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(O)c1 ZINC000769379648 577576599 /nfs/dbraw/zinc/57/65/99/577576599.db2.gz DAEMKIKEWDSBAM-QGZVFWFLSA-N 2 1 333.476 2.003 20 10 EECDMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877058470 1199855759 /nfs/dbraw/zinc/85/57/59/1199855759.db2.gz IUWBJPFLFUIABS-HXUWFJFHSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877058470 1199855762 /nfs/dbraw/zinc/85/57/62/1199855762.db2.gz IUWBJPFLFUIABS-HXUWFJFHSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1cccc(O)c1C[N@@H+]1CCCC[C@@]12CC(=O)N(CC[NH+](C)C)C2 ZINC001274303752 1204991621 /nfs/dbraw/zinc/99/16/21/1204991621.db2.gz MFNXGLNXIKUNTH-FQEVSTJZSA-N 2 1 345.487 2.219 20 10 EECDMP Cc1c(O)ccc(C[N@@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001276118113 1205782251 /nfs/dbraw/zinc/78/22/51/1205782251.db2.gz OADJPDHGCVYDSN-HXUWFJFHSA-N 2 1 347.503 2.256 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000783668490 1304323032 /nfs/dbraw/zinc/32/30/32/1304323032.db2.gz RLCDOLJQBIYKKE-GOSISDBHSA-N 2 1 325.460 2.499 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000783668490 1304323039 /nfs/dbraw/zinc/32/30/39/1304323039.db2.gz RLCDOLJQBIYKKE-GOSISDBHSA-N 2 1 325.460 2.499 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C(=O)CCC[C@@H]4C3)c(F)c2)CC1 ZINC001236949073 1305742584 /nfs/dbraw/zinc/74/25/84/1305742584.db2.gz ZLNSYTLCKLEOLY-QAPCUYQASA-N 2 1 345.462 2.379 20 10 EECDMP COC1CC[NH+](C2CC[NH+](Cc3ccc(O)c(C)c3O)CC2)CC1 ZINC001140749990 1314955439 /nfs/dbraw/zinc/95/54/39/1314955439.db2.gz RMUAQACXEFVWJG-UHFFFAOYSA-N 2 1 334.460 2.481 20 10 EECDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001152457724 1316674521 /nfs/dbraw/zinc/67/45/21/1316674521.db2.gz HNDLSOGMJGGNSB-QGZVFWFLSA-N 2 1 333.476 2.084 20 10 EECDMP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1C ZINC001203924885 1321990765 /nfs/dbraw/zinc/99/07/65/1321990765.db2.gz GSQLAJZRYOMTAQ-UHFFFAOYSA-N 2 1 347.503 2.424 20 10 EECDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2CC1 ZINC001276635884 1324908773 /nfs/dbraw/zinc/90/87/73/1324908773.db2.gz XQWNHSQDMASGBL-KDURUIRLSA-N 2 1 329.488 2.297 20 10 EECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2CC1 ZINC001276635884 1324908774 /nfs/dbraw/zinc/90/87/74/1324908774.db2.gz XQWNHSQDMASGBL-KDURUIRLSA-N 2 1 329.488 2.297 20 10 EECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)C[C@H]2CC1 ZINC001276635884 1324908776 /nfs/dbraw/zinc/90/87/76/1324908776.db2.gz XQWNHSQDMASGBL-KDURUIRLSA-N 2 1 329.488 2.297 20 10 EECDMP CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323275260 1333428724 /nfs/dbraw/zinc/42/87/24/1333428724.db2.gz SDUKVASGNVWEEU-RDJZCZTQSA-N 2 1 337.483 2.464 20 10 EECDMP C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327394732 1334283900 /nfs/dbraw/zinc/28/39/00/1334283900.db2.gz NZPKHNVIEGEBMI-NVXWUHKLSA-N 2 1 335.467 2.170 20 10 EECDMP C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327394732 1334283904 /nfs/dbraw/zinc/28/39/04/1334283904.db2.gz NZPKHNVIEGEBMI-NVXWUHKLSA-N 2 1 335.467 2.170 20 10 EECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140286732 1372556888 /nfs/dbraw/zinc/55/68/88/1372556888.db2.gz CLPXSZHMMDNRFH-KDURUIRLSA-N 2 1 343.515 2.421 20 10 EECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140286732 1372556892 /nfs/dbraw/zinc/55/68/92/1372556892.db2.gz CLPXSZHMMDNRFH-KDURUIRLSA-N 2 1 343.515 2.421 20 10 EECDMP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccc(Br)c1O ZINC000809740928 783350339 /nfs/dbraw/zinc/35/03/39/783350339.db2.gz GEYXUCLCPHKGFH-UHFFFAOYSA-N 2 1 344.297 2.080 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCO)CC3)cc2)CC1 ZINC000817419805 784770490 /nfs/dbraw/zinc/77/04/90/784770490.db2.gz YGSWDCZZVZKGET-GOSISDBHSA-N 2 1 331.504 2.423 20 10 EECDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+](C2CC2)C1 ZINC000824445480 788173718 /nfs/dbraw/zinc/17/37/18/788173718.db2.gz ASWBRRPJDIUKLR-GOSISDBHSA-N 2 1 342.531 2.355 20 10 EECDMP C[C@H]1CN(C2CC2)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824445480 788173724 /nfs/dbraw/zinc/17/37/24/788173724.db2.gz ASWBRRPJDIUKLR-GOSISDBHSA-N 2 1 342.531 2.355 20 10 EECDMP C[C@H]1CN(C2CC2)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824445480 788173727 /nfs/dbraw/zinc/17/37/27/788173727.db2.gz ASWBRRPJDIUKLR-GOSISDBHSA-N 2 1 342.531 2.355 20 10 EECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000771844287 577233878 /nfs/dbraw/zinc/23/38/78/577233878.db2.gz YBUVGTFIKRAGBG-YLJYHZDGSA-N 3 1 330.520 2.258 20 10 EECDMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1 ZINC000756562348 577846836 /nfs/dbraw/zinc/84/68/36/577846836.db2.gz JZKXDCQSTCKICA-OAHLLOKOSA-N 2 1 333.476 2.294 20 10 EECDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891243759 676235317 /nfs/dbraw/zinc/23/53/17/676235317.db2.gz UVSMYBYHYAWZPB-RBUKOAKNSA-N 2 1 346.519 2.344 20 10 EECDMP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)[NH+](C)C)cc1 ZINC000891249658 676244580 /nfs/dbraw/zinc/24/45/80/676244580.db2.gz VIBUHIQCMKQSIQ-RTBURBONSA-N 2 1 344.503 2.098 20 10 EECDMP CN(C)c1ccc([C@H](CNc2cc[nH+]c(N(C)C)n2)[NH+](C)C)cc1 ZINC000897524811 690905574 /nfs/dbraw/zinc/90/55/74/690905574.db2.gz DXHXFAVGHJNWPE-INIZCTEOSA-N 2 1 328.464 2.323 20 10 EECDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132738553 1199967270 /nfs/dbraw/zinc/96/72/70/1199967270.db2.gz ICMWAHZEDMPUOD-GOSISDBHSA-N 2 1 347.503 2.331 20 10 EECDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(C)ccc3O)C[C@H]2CC1 ZINC001275311832 1205305761 /nfs/dbraw/zinc/30/57/61/1205305761.db2.gz PVIWJWILIJKFOK-HDICACEKSA-N 2 1 348.487 2.465 20 10 EECDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(C)ccc3O)C[C@H]2CC1 ZINC001275311832 1205305764 /nfs/dbraw/zinc/30/57/64/1205305764.db2.gz PVIWJWILIJKFOK-HDICACEKSA-N 2 1 348.487 2.465 20 10 EECDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3cc(C)ccc3O)C[C@H]2CC1 ZINC001275311832 1205305768 /nfs/dbraw/zinc/30/57/68/1205305768.db2.gz PVIWJWILIJKFOK-HDICACEKSA-N 2 1 348.487 2.465 20 10 EECDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cc(O)ccc3O)(C1)CCC2 ZINC001275418333 1205351206 /nfs/dbraw/zinc/35/12/06/1205351206.db2.gz ASNIANMFVWWXGM-RBUKOAKNSA-N 2 1 333.476 2.184 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCCC[C@H]1O ZINC000779155005 1208530983 /nfs/dbraw/zinc/53/09/83/1208530983.db2.gz YBSKYTBTLITSCU-AZUAARDMSA-N 2 1 331.504 2.421 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)cc1C ZINC001135102849 1278140401 /nfs/dbraw/zinc/14/04/01/1278140401.db2.gz PBMIKYMGXNQEEG-ROUUACIJSA-N 2 1 345.487 2.226 20 10 EECDMP CN(C)c1cc(F)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1F ZINC000858196719 1294041888 /nfs/dbraw/zinc/04/18/88/1294041888.db2.gz XSZIXDJRMYPSIJ-UHFFFAOYSA-N 2 1 340.462 2.100 20 10 EECDMP CN(C)c1ccc(C[N@H+]2CCN[C@H]3CC[NH2+]CC[C@@H]32)c2ccccc21 ZINC001222492479 1299630456 /nfs/dbraw/zinc/63/04/56/1299630456.db2.gz YDOASCUYKTZXOS-FPOVZHCZSA-N 2 1 338.499 2.432 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001234995015 1305077610 /nfs/dbraw/zinc/07/76/10/1305077610.db2.gz WHBGLTYMUFNJFH-OAQYLSRUSA-N 3 1 342.531 2.404 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001234995015 1305077617 /nfs/dbraw/zinc/07/76/17/1305077617.db2.gz WHBGLTYMUFNJFH-OAQYLSRUSA-N 2 1 342.531 2.404 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCO)C3)c(F)c2)CC1 ZINC001236938320 1305737645 /nfs/dbraw/zinc/73/76/45/1305737645.db2.gz LQZVWILHRPWVHM-MRXNPFEDSA-N 2 1 335.467 2.172 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@]1(C)O ZINC001139409110 1314740984 /nfs/dbraw/zinc/74/09/84/1314740984.db2.gz WRRVXWIBSCWVSO-YLJYHZDGSA-N 2 1 331.504 2.421 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001160003495 1320046345 /nfs/dbraw/zinc/04/63/45/1320046345.db2.gz QXZCCWGHENDFRN-UHFFFAOYSA-N 2 1 333.476 2.084 20 10 EECDMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)cc1O)C2 ZINC001204272969 1322099258 /nfs/dbraw/zinc/09/92/58/1322099258.db2.gz IEZJMFQMZPWSQN-PXNSSMCTSA-N 2 1 346.471 2.278 20 10 EECDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204272969 1322099261 /nfs/dbraw/zinc/09/92/61/1322099261.db2.gz IEZJMFQMZPWSQN-PXNSSMCTSA-N 2 1 346.471 2.278 20 10 EECDMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204272969 1322099266 /nfs/dbraw/zinc/09/92/66/1322099266.db2.gz IEZJMFQMZPWSQN-PXNSSMCTSA-N 2 1 346.471 2.278 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@H]3C)cc2)CC1 ZINC001206769076 1323587012 /nfs/dbraw/zinc/58/70/12/1323587012.db2.gz NGGRDCCOLQALNT-MJGOQNOKSA-N 3 1 330.520 2.388 20 10 EECDMP CC[C@]1(O)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001349632446 1337630987 /nfs/dbraw/zinc/63/09/87/1337630987.db2.gz JCCZVMHZWXEDMX-IBGZPJMESA-N 2 1 335.467 2.314 20 10 EECDMP CC[C@]1(O)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001349632446 1337630988 /nfs/dbraw/zinc/63/09/88/1337630988.db2.gz JCCZVMHZWXEDMX-IBGZPJMESA-N 2 1 335.467 2.314 20 10 EECDMP C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116512635 1371728309 /nfs/dbraw/zinc/72/83/09/1371728309.db2.gz VTGFUOUSRPWEGP-WBVHZDCISA-N 2 1 335.467 2.170 20 10 EECDMP C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116512635 1371728313 /nfs/dbraw/zinc/72/83/13/1371728313.db2.gz VTGFUOUSRPWEGP-WBVHZDCISA-N 2 1 335.467 2.170 20 10 EECDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCCN2C ZINC001138357741 1372387036 /nfs/dbraw/zinc/38/70/36/1372387036.db2.gz ILLZLKVSYCHRBI-UHFFFAOYSA-N 2 1 347.503 2.386 20 10 EECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCCN2C ZINC001138357741 1372387039 /nfs/dbraw/zinc/38/70/39/1372387039.db2.gz ILLZLKVSYCHRBI-UHFFFAOYSA-N 2 1 347.503 2.386 20 10 EECDMP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000817973752 785125361 /nfs/dbraw/zinc/12/53/61/785125361.db2.gz VYGAYCGBGQEJRU-IINYFYTJSA-N 2 1 335.345 2.018 20 10 EECDMP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000817973753 785125590 /nfs/dbraw/zinc/12/55/90/785125590.db2.gz VYGAYCGBGQEJRU-QMTHXVAHSA-N 2 1 335.345 2.018 20 10 EECDMP C[NH+]1CCN(c2ccc(CNc3c[nH+]ccc3-n3ccnn3)cc2)CC1 ZINC000808425574 812622307 /nfs/dbraw/zinc/62/23/07/812622307.db2.gz ZVMRKTADWCHKRA-UHFFFAOYSA-N 2 1 349.442 2.026 20 10 EECDMP COCC[N@@H+](C)CCC[NH2+]C1CCN(c2ccc(OC)cc2)CC1 ZINC000153757103 462688707 /nfs/dbraw/zinc/68/87/07/462688707.db2.gz CXRZKQCASUTDQT-UHFFFAOYSA-N 2 1 335.492 2.222 20 10 EECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000151559937 463552721 /nfs/dbraw/zinc/55/27/21/463552721.db2.gz IPZVKBQDRSBWTK-QFBILLFUSA-N 2 1 331.504 2.468 20 10 EECDMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273600552 464720919 /nfs/dbraw/zinc/72/09/19/464720919.db2.gz RTTZTBHJTAWQPF-ZFWWWQNUSA-N 2 1 338.448 2.186 20 10 EECDMP COc1c(O)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000377267725 467049962 /nfs/dbraw/zinc/04/99/62/467049962.db2.gz QTNARZZVNAMZBN-UHFFFAOYSA-N 2 1 335.404 2.369 20 10 EECDMP COc1c(O)c(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000377267725 467049966 /nfs/dbraw/zinc/04/99/66/467049966.db2.gz QTNARZZVNAMZBN-UHFFFAOYSA-N 2 1 335.404 2.369 20 10 EECDMP CCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(O)c1 ZINC000768197763 577551969 /nfs/dbraw/zinc/55/19/69/577551969.db2.gz MDRMTMDTCAMUFT-UHFFFAOYSA-N 2 1 333.476 2.004 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)cc2)CC1 ZINC000858246311 1294059924 /nfs/dbraw/zinc/05/99/24/1294059924.db2.gz ZWUNEJCDNJPPCQ-LJQANCHMSA-N 3 1 330.520 2.260 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@]1(C)O ZINC001236931376 1305733595 /nfs/dbraw/zinc/73/35/95/1305733595.db2.gz JZNQWVIBOMRUKN-HNAYVOBHSA-N 2 1 335.467 2.170 20 10 EECDMP CCOc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c(O)c1 ZINC001237040645 1305775205 /nfs/dbraw/zinc/77/52/05/1305775205.db2.gz KEVNASZSIMPSQN-ZWKOTPCHSA-N 2 1 333.476 2.001 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[C@@H]4C[N@@H+](C)C[C@@H]43)cc2)CC1 ZINC001140304657 1314862622 /nfs/dbraw/zinc/86/26/22/1314862622.db2.gz XPXNSGWTBJECOQ-CTNGQTDRSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CN(C)C[C@@H]43)cc2)CC1 ZINC001140304657 1314862628 /nfs/dbraw/zinc/86/26/28/1314862628.db2.gz XPXNSGWTBJECOQ-CTNGQTDRSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4CN(C)C[C@@H]43)cc2)CC1 ZINC001140304657 1314862634 /nfs/dbraw/zinc/86/26/34/1314862634.db2.gz XPXNSGWTBJECOQ-CTNGQTDRSA-N 2 1 342.531 2.355 20 10 EECDMP COc1cc(Br)cc(C[N@@H+](C)C2CC[NH2+]CC2)c1O ZINC000843044667 1315827239 /nfs/dbraw/zinc/82/72/39/1315827239.db2.gz DZDOWMPNYFYQKI-UHFFFAOYSA-N 2 1 329.238 2.347 20 10 EECDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157435540 1318639754 /nfs/dbraw/zinc/63/97/54/1318639754.db2.gz TVVPHUMQHVWDAC-LJQANCHMSA-N 2 1 345.487 2.090 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1C ZINC001160274204 1320119401 /nfs/dbraw/zinc/11/94/01/1320119401.db2.gz QNIZOAUNKJZLPE-SFHVURJKSA-N 2 1 347.503 2.474 20 10 EECDMP CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318740679 1332585374 /nfs/dbraw/zinc/58/53/74/1332585374.db2.gz TZDDYRJJCGTZKG-KXBFYZLASA-N 2 1 337.483 2.464 20 10 EECDMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320709491 1332938745 /nfs/dbraw/zinc/93/87/45/1332938745.db2.gz UDYVWAIAWYHERO-WBVHZDCISA-N 2 1 349.450 2.009 20 10 EECDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963552 1349083174 /nfs/dbraw/zinc/08/31/74/1349083174.db2.gz LAZWDSKBKNBVPR-ZIAGYGMSSA-N 2 1 344.463 2.343 20 10 EECDMP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817936525 785080856 /nfs/dbraw/zinc/08/08/56/785080856.db2.gz PGTBWNZZXXVWOQ-GFCCVEGCSA-N 2 1 331.382 2.357 20 10 EECDMP CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000817971811 785122165 /nfs/dbraw/zinc/12/21/65/785122165.db2.gz HIBBBIBFZBGOCZ-UKRRQHHQSA-N 2 1 349.372 2.408 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001127077274 788482291 /nfs/dbraw/zinc/48/22/91/788482291.db2.gz AWWDLZSLIOORTQ-QGZVFWFLSA-N 2 1 333.476 2.082 20 10 EECDMP C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1CC[NH3+] ZINC000846226161 790093136 /nfs/dbraw/zinc/09/31/36/790093136.db2.gz JAWSYBLQIQSJFN-LPHOPBHVSA-N 2 1 346.519 2.160 20 10 EECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000771844281 577233909 /nfs/dbraw/zinc/23/39/09/577233909.db2.gz YBUVGTFIKRAGBG-PXNSSMCTSA-N 3 1 330.520 2.258 20 10 EECDMP CCn1cc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000775699462 577443141 /nfs/dbraw/zinc/44/31/41/577443141.db2.gz DQUNLIOPLWYAJS-UHFFFAOYSA-N 2 1 327.476 2.287 20 10 EECDMP COc1ccc(N2CCC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000765791509 577507247 /nfs/dbraw/zinc/50/72/47/577507247.db2.gz LUJUQRVVTFMNDH-ICSRJNTNSA-N 2 1 345.487 2.117 20 10 EECDMP COc1ccc(N2CCC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000765791509 577507248 /nfs/dbraw/zinc/50/72/48/577507248.db2.gz LUJUQRVVTFMNDH-ICSRJNTNSA-N 2 1 345.487 2.117 20 10 EECDMP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC001026733921 684925316 /nfs/dbraw/zinc/92/53/16/684925316.db2.gz JUTRKJHUSWNCGD-ROUUACIJSA-N 2 1 345.487 2.036 20 10 EECDMP Cc1cccc(O)c1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000877059358 1199856127 /nfs/dbraw/zinc/85/61/27/1199856127.db2.gz VSWPHHQKYMDZNV-HXUWFJFHSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1cccc(O)c1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000877059358 1199856130 /nfs/dbraw/zinc/85/61/30/1199856130.db2.gz VSWPHHQKYMDZNV-HXUWFJFHSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c(O)c1 ZINC001274214199 1204466600 /nfs/dbraw/zinc/46/66/00/1204466600.db2.gz SEQLRYBAFADZHP-QZTJIDSGSA-N 2 1 345.487 2.136 20 10 EECDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(F)(F)F ZINC000863646769 1296363649 /nfs/dbraw/zinc/36/36/49/1296363649.db2.gz NZGPHHHIRAFVMK-MNOVXSKESA-N 2 1 332.322 2.080 20 10 EECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(F)(F)F ZINC000863646769 1296363663 /nfs/dbraw/zinc/36/36/63/1296363663.db2.gz NZGPHHHIRAFVMK-MNOVXSKESA-N 2 1 332.322 2.080 20 10 EECDMP COCCOc1ccc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC001246897111 1310461924 /nfs/dbraw/zinc/46/19/24/1310461924.db2.gz QSTCPIIACOJXIE-JJTKIYQPSA-N 2 1 345.487 2.117 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[C@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC001140304659 1314862437 /nfs/dbraw/zinc/86/24/37/1314862437.db2.gz XPXNSGWTBJECOQ-PZJWPPBQSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4CN(C)C[C@H]43)cc2)CC1 ZINC001140304659 1314862441 /nfs/dbraw/zinc/86/24/41/1314862441.db2.gz XPXNSGWTBJECOQ-PZJWPPBQSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4CN(C)C[C@H]43)cc2)CC1 ZINC001140304659 1314862445 /nfs/dbraw/zinc/86/24/45/1314862445.db2.gz XPXNSGWTBJECOQ-PZJWPPBQSA-N 2 1 342.531 2.355 20 10 EECDMP CC[N@@H+](C)C(C)(C)C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001161226305 1320426106 /nfs/dbraw/zinc/42/61/06/1320426106.db2.gz BWOYCMXJPWQVKD-UHFFFAOYSA-N 2 1 335.492 2.330 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cc1O ZINC001276505355 1323823670 /nfs/dbraw/zinc/82/36/70/1323823670.db2.gz KEDWBWMICBZRIZ-GASCZTMLSA-N 2 1 343.393 2.231 20 10 EECDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC001331062281 1334955946 /nfs/dbraw/zinc/95/59/46/1334955946.db2.gz RAXKDLYKTLRJOP-ZDUSSCGKSA-N 2 1 327.384 2.227 20 10 EECDMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963550 1349083333 /nfs/dbraw/zinc/08/33/33/1349083333.db2.gz LAZWDSKBKNBVPR-UONOGXRCSA-N 2 1 344.463 2.343 20 10 EECDMP Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001116476561 1371727010 /nfs/dbraw/zinc/72/70/10/1371727010.db2.gz PXTGPGQAMCJJEY-SFHVURJKSA-N 2 1 347.434 2.302 20 10 EECDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC000179571034 464159127 /nfs/dbraw/zinc/15/91/27/464159127.db2.gz UUOIOVUAIMDVLK-UHFFFAOYSA-N 2 1 345.487 2.158 20 10 EECDMP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370710814 466975506 /nfs/dbraw/zinc/97/55/06/466975506.db2.gz UUCKILJJHLBOCR-APWZRJJASA-N 2 1 348.510 2.350 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370710814 466975508 /nfs/dbraw/zinc/97/55/08/466975508.db2.gz UUCKILJJHLBOCR-APWZRJJASA-N 2 1 348.510 2.350 20 10 EECDMP Cc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1C ZINC000883290134 1202041327 /nfs/dbraw/zinc/04/13/27/1202041327.db2.gz LIJFYRYHPIIMNL-INIZCTEOSA-N 2 1 327.476 2.331 20 10 EECDMP COc1ccc(O)c(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001275278306 1205296745 /nfs/dbraw/zinc/29/67/45/1205296745.db2.gz GXEKFNRBLQPAFR-HXUWFJFHSA-N 2 1 347.503 2.250 20 10 EECDMP CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3ccc(O)c(O)c3)(C1)CCC2 ZINC001275821682 1205550956 /nfs/dbraw/zinc/55/09/56/1205550956.db2.gz XNDUNCVPGOCFPG-RBUKOAKNSA-N 2 1 333.476 2.184 20 10 EECDMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1C(F)(F)F ZINC000863646686 1296364480 /nfs/dbraw/zinc/36/44/80/1296364480.db2.gz NZGPHHHIRAFVMK-GHMZBOCLSA-N 2 1 332.322 2.080 20 10 EECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1C(F)(F)F ZINC000863646686 1296364495 /nfs/dbraw/zinc/36/44/95/1296364495.db2.gz NZGPHHHIRAFVMK-GHMZBOCLSA-N 2 1 332.322 2.080 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001234994983 1305078195 /nfs/dbraw/zinc/07/81/95/1305078195.db2.gz WHBGLTYMUFNJFH-NRFANRHFSA-N 3 1 342.531 2.404 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC001234994983 1305078201 /nfs/dbraw/zinc/07/82/01/1305078201.db2.gz WHBGLTYMUFNJFH-NRFANRHFSA-N 2 1 342.531 2.404 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235420766 1305224256 /nfs/dbraw/zinc/22/42/56/1305224256.db2.gz ASBBNAPGIZJELO-CVEARBPZSA-N 3 1 345.487 2.086 20 10 EECDMP CCC1(O)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001116445792 1305886198 /nfs/dbraw/zinc/88/61/98/1305886198.db2.gz ZYCLVSCTBIINPC-UHFFFAOYSA-N 2 1 335.467 2.314 20 10 EECDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1CO ZINC001118758752 1308939473 /nfs/dbraw/zinc/93/94/73/1308939473.db2.gz ZNXGHQNKSNCIHF-WBVHZDCISA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1CO ZINC001118758752 1308939475 /nfs/dbraw/zinc/93/94/75/1308939475.db2.gz ZNXGHQNKSNCIHF-WBVHZDCISA-N 2 1 335.467 2.028 20 10 EECDMP CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140306192 1314863636 /nfs/dbraw/zinc/86/36/36/1314863636.db2.gz OMVQPGZPLLACSE-IBGZPJMESA-N 2 1 345.487 2.356 20 10 EECDMP CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140306192 1314863643 /nfs/dbraw/zinc/86/36/43/1314863643.db2.gz OMVQPGZPLLACSE-IBGZPJMESA-N 2 1 345.487 2.356 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841099991 1315474781 /nfs/dbraw/zinc/47/47/81/1315474781.db2.gz RFHNTRVQKQEPKS-IBGZPJMESA-N 2 1 342.491 2.420 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C[NH3+])CC[C@@H]3C)cc2)CC1 ZINC001206769077 1323586755 /nfs/dbraw/zinc/58/67/55/1323586755.db2.gz NGGRDCCOLQALNT-PKOBYXMFSA-N 3 1 330.520 2.388 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(O)CC3)cc2F)CC1 ZINC001321043517 1333004364 /nfs/dbraw/zinc/00/43/64/1333004364.db2.gz RVIVSTBLKKZZSR-IBGZPJMESA-N 2 1 335.467 2.314 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(O)CC3)cc2F)CC1 ZINC001321043517 1333004369 /nfs/dbraw/zinc/00/43/69/1333004369.db2.gz RVIVSTBLKKZZSR-IBGZPJMESA-N 2 1 335.467 2.314 20 10 EECDMP CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326187482 1334039431 /nfs/dbraw/zinc/03/94/31/1334039431.db2.gz GWFDNXKFSBYCMT-DOTOQJQBSA-N 2 1 337.483 2.464 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2F)CC1 ZINC001331418971 1335010520 /nfs/dbraw/zinc/01/05/20/1335010520.db2.gz MOXHDCYBIGGOSY-WMZOPIPTSA-N 3 1 334.483 2.185 20 10 EECDMP CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780903918 1371174418 /nfs/dbraw/zinc/17/44/18/1371174418.db2.gz VOQOEBUITCUODC-FQEVSTJZSA-N 2 1 330.520 2.210 20 10 EECDMP CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780903918 1371174423 /nfs/dbraw/zinc/17/44/23/1371174423.db2.gz VOQOEBUITCUODC-FQEVSTJZSA-N 2 1 330.520 2.210 20 10 EECDMP CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780903918 1371174429 /nfs/dbraw/zinc/17/44/29/1371174429.db2.gz VOQOEBUITCUODC-FQEVSTJZSA-N 2 1 330.520 2.210 20 10 EECDMP CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825005933 788378315 /nfs/dbraw/zinc/37/83/15/788378315.db2.gz VKJBNLWKXZJFOH-LJQANCHMSA-N 2 1 330.520 2.355 20 10 EECDMP CC[C@@H]1CN(CC)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825005933 788378325 /nfs/dbraw/zinc/37/83/25/788378325.db2.gz VKJBNLWKXZJFOH-LJQANCHMSA-N 2 1 330.520 2.355 20 10 EECDMP CC[C@@H]1CN(CC)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825005933 788378336 /nfs/dbraw/zinc/37/83/36/788378336.db2.gz VKJBNLWKXZJFOH-LJQANCHMSA-N 2 1 330.520 2.355 20 10 EECDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165181874 463640085 /nfs/dbraw/zinc/64/00/85/463640085.db2.gz NANMWRWKZGSJAW-VKJFTORMSA-N 2 1 335.467 2.481 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC000970484479 675927915 /nfs/dbraw/zinc/92/79/15/675927915.db2.gz TVJYIXWHFURRKW-ZWKOTPCHSA-N 2 1 345.487 2.036 20 10 EECDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891243754 676235264 /nfs/dbraw/zinc/23/52/64/676235264.db2.gz UVSMYBYHYAWZPB-MOPGFXCFSA-N 2 1 346.519 2.344 20 10 EECDMP CN(C)C1=[NH+]OC2(C1)CC[NH+](Cc1ccc(N(C)C)cc1O)CC2 ZINC001232837693 1304265680 /nfs/dbraw/zinc/26/56/80/1304265680.db2.gz LVIZJVUGKHUGMF-UHFFFAOYSA-N 2 1 332.448 2.088 20 10 EECDMP CCOC(=O)c1c(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001235938977 1305450774 /nfs/dbraw/zinc/45/07/74/1305450774.db2.gz NIGPWMBYVGDESR-HUUCEWRRSA-N 2 1 341.455 2.396 20 10 EECDMP CCOC(=O)c1c(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001235938977 1305450785 /nfs/dbraw/zinc/45/07/85/1305450785.db2.gz NIGPWMBYVGDESR-HUUCEWRRSA-N 2 1 341.455 2.396 20 10 EECDMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)C2)C1 ZINC001236943046 1305740211 /nfs/dbraw/zinc/74/02/11/1305740211.db2.gz PEXWQGFUXDWQOB-HXUWFJFHSA-N 2 1 346.494 2.105 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCCC(=O)[C@H]4C3)c(F)c2)CC1 ZINC001236949077 1305742335 /nfs/dbraw/zinc/74/23/35/1305742335.db2.gz ZLNSYTLCKLEOLY-YJBOKZPZSA-N 2 1 345.462 2.379 20 10 EECDMP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)C1 ZINC001117686718 1306145849 /nfs/dbraw/zinc/14/58/49/1306145849.db2.gz OMUKWZKISQZPCQ-FQEVSTJZSA-N 2 1 346.494 2.105 20 10 EECDMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)C2)C1 ZINC001117686718 1306145853 /nfs/dbraw/zinc/14/58/53/1306145853.db2.gz OMUKWZKISQZPCQ-FQEVSTJZSA-N 2 1 346.494 2.105 20 10 EECDMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC001138499136 1314622120 /nfs/dbraw/zinc/62/21/20/1314622120.db2.gz ZKYVIOVNZVAJSO-UHFFFAOYSA-N 2 1 329.488 2.441 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CCCC(=O)[C@@H]4C3)cc2)CC1 ZINC001139411222 1314740745 /nfs/dbraw/zinc/74/07/45/1314740745.db2.gz AJOXRLVWOZCYIX-IEBWSBKVSA-N 2 1 327.472 2.239 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c(OC)c1 ZINC001205219435 1322317325 /nfs/dbraw/zinc/31/73/25/1322317325.db2.gz CXTCYDNKVSPVNP-IBGZPJMESA-N 2 1 335.492 2.217 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205559456 1323196008 /nfs/dbraw/zinc/19/60/08/1323196008.db2.gz RDAWXMRWVYBIDP-LJQANCHMSA-N 3 1 334.483 2.091 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205559456 1323196015 /nfs/dbraw/zinc/19/60/15/1323196015.db2.gz RDAWXMRWVYBIDP-LJQANCHMSA-N 2 1 334.483 2.091 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205559456 1323196024 /nfs/dbraw/zinc/19/60/24/1323196024.db2.gz RDAWXMRWVYBIDP-LJQANCHMSA-N 2 1 334.483 2.091 20 10 EECDMP COC(=O)c1c(C[N@@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206187550 1323419435 /nfs/dbraw/zinc/41/94/35/1323419435.db2.gz UGMBBICPYBPWFK-GJZGRUSLSA-N 2 1 333.407 2.226 20 10 EECDMP COC(=O)c1c(C[N@H+]2CC[C@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206187550 1323419437 /nfs/dbraw/zinc/41/94/37/1323419437.db2.gz UGMBBICPYBPWFK-GJZGRUSLSA-N 2 1 333.407 2.226 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311935 1323452862 /nfs/dbraw/zinc/45/28/62/1323452862.db2.gz WZUGXSPNEDVNRJ-HXUWFJFHSA-N 3 1 330.520 2.389 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311935 1323452865 /nfs/dbraw/zinc/45/28/65/1323452865.db2.gz WZUGXSPNEDVNRJ-HXUWFJFHSA-N 2 1 330.520 2.389 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311935 1323452882 /nfs/dbraw/zinc/45/28/82/1323452882.db2.gz WZUGXSPNEDVNRJ-HXUWFJFHSA-N 2 1 330.520 2.389 20 10 EECDMP C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001330333879 1334824809 /nfs/dbraw/zinc/82/48/09/1334824809.db2.gz IHNCQQWWORMZNP-KXBFYZLASA-N 2 1 335.467 2.218 20 10 EECDMP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)cc1C ZINC001754622440 1406936205 /nfs/dbraw/zinc/93/62/05/1406936205.db2.gz QXWUCOORPVZTJO-SFHVURJKSA-N 2 1 347.503 2.424 20 10 EECDMP COc1ccc(N2CCC([NH2+]CC3([NH+](C)C)CCOCC3)CC2)cc1 ZINC000168301805 463665859 /nfs/dbraw/zinc/66/58/59/463665859.db2.gz VBLQPKSXEVDJMR-UHFFFAOYSA-N 2 1 347.503 2.364 20 10 EECDMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000185014525 463737217 /nfs/dbraw/zinc/73/72/17/463737217.db2.gz JMLCOVSUOBQEMU-INIZCTEOSA-N 2 1 335.492 2.469 20 10 EECDMP CN(C)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000279902732 464163219 /nfs/dbraw/zinc/16/32/19/464163219.db2.gz LJXHSNMGNLOUAN-OAHLLOKOSA-N 2 1 345.409 2.318 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3CN3CCCC3)cc2)CC1 ZINC000775664354 577442208 /nfs/dbraw/zinc/44/22/08/577442208.db2.gz LTDNSIMEEPULRI-OAQYLSRUSA-N 2 1 342.531 2.499 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3CN3CCCC3)cc2)CC1 ZINC000775664354 577442209 /nfs/dbraw/zinc/44/22/09/577442209.db2.gz LTDNSIMEEPULRI-OAQYLSRUSA-N 2 1 342.531 2.499 20 10 EECDMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(CC)cc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222135757 1299377664 /nfs/dbraw/zinc/37/76/64/1299377664.db2.gz HHQHCYLHXXCBMA-PXNSSMCTSA-N 2 1 346.471 2.319 20 10 EECDMP Cc1cc(F)cc(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001277520090 1303802461 /nfs/dbraw/zinc/80/24/61/1303802461.db2.gz YCDCOUBRNOUVKL-UHFFFAOYSA-N 2 1 335.467 2.299 20 10 EECDMP CCC[C@@H]1CNCC[N@@H+]1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001236130787 1305508100 /nfs/dbraw/zinc/50/81/00/1305508100.db2.gz HSDXWBLPHDILQR-HXUWFJFHSA-N 2 1 330.520 2.402 20 10 EECDMP CCC[C@@H]1CNCC[N@H+]1Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001236130787 1305508106 /nfs/dbraw/zinc/50/81/06/1305508106.db2.gz HSDXWBLPHDILQR-HXUWFJFHSA-N 2 1 330.520 2.402 20 10 EECDMP C[N@@H+](C1CC1)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236943500 1305741000 /nfs/dbraw/zinc/74/10/00/1305741000.db2.gz SCWPBAMQMIXSEA-LJQANCHMSA-N 2 1 346.494 2.246 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC[C@H]4C3)c(F)c2)CC1 ZINC001236943996 1305741471 /nfs/dbraw/zinc/74/14/71/1305741471.db2.gz YHKWTKPMTXXGNI-LPHOPBHVSA-N 2 1 333.451 2.188 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001139409935 1314740971 /nfs/dbraw/zinc/74/09/71/1314740971.db2.gz VYOOHLRLLFAKHI-HXUWFJFHSA-N 2 1 328.504 2.109 20 10 EECDMP COC(=O)CC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412807 1314741419 /nfs/dbraw/zinc/74/14/19/1314741419.db2.gz OFRJHMBXHSUZCT-GOSISDBHSA-N 2 1 345.487 2.214 20 10 EECDMP Cc1cc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)ccc1N(C)C ZINC001139671724 1314756946 /nfs/dbraw/zinc/75/69/46/1314756946.db2.gz PIPOUMQWUXWLLY-VQTJNVASSA-N 2 1 330.520 2.271 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC001140306058 1314862870 /nfs/dbraw/zinc/86/28/70/1314862870.db2.gz MTIMKDJLJPMRDA-CTNGQTDRSA-N 2 1 342.531 2.497 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4CC[C@@H](C3)N4C)cc2)CC1 ZINC001140306058 1314862874 /nfs/dbraw/zinc/86/28/74/1314862874.db2.gz MTIMKDJLJPMRDA-CTNGQTDRSA-N 2 1 342.531 2.497 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CC[C@@H](C3)N4C)cc2)CC1 ZINC001140306058 1314862878 /nfs/dbraw/zinc/86/28/78/1314862878.db2.gz MTIMKDJLJPMRDA-CTNGQTDRSA-N 2 1 342.531 2.497 20 10 EECDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@@H]2C1 ZINC001140309654 1314865622 /nfs/dbraw/zinc/86/56/22/1314865622.db2.gz PCJHWAGSGGOCSG-BGYRXZFFSA-N 3 1 342.531 2.212 20 10 EECDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@@H]2C1 ZINC001140309654 1314865626 /nfs/dbraw/zinc/86/56/26/1314865626.db2.gz PCJHWAGSGGOCSG-BGYRXZFFSA-N 3 1 342.531 2.212 20 10 EECDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@@H]2C1 ZINC001140309654 1314865630 /nfs/dbraw/zinc/86/56/30/1314865630.db2.gz PCJHWAGSGGOCSG-BGYRXZFFSA-N 3 1 342.531 2.212 20 10 EECDMP CC[N@H+]1C[C@H]2CN(Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@H]2C1 ZINC001140309654 1314865634 /nfs/dbraw/zinc/86/56/34/1314865634.db2.gz PCJHWAGSGGOCSG-BGYRXZFFSA-N 2 1 342.531 2.212 20 10 EECDMP CC[N@@H+]1C[C@H]2CN(Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@H]2C1 ZINC001140309654 1314865641 /nfs/dbraw/zinc/86/56/41/1314865641.db2.gz PCJHWAGSGGOCSG-BGYRXZFFSA-N 2 1 342.531 2.212 20 10 EECDMP COc1c(O)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)ccc1[N+](=O)[O-] ZINC000841033467 1315459494 /nfs/dbraw/zinc/45/94/94/1315459494.db2.gz OJWULQCHPNYUFA-UHFFFAOYSA-N 2 1 331.372 2.100 20 10 EECDMP COC[C@]1(C[NH2+]Cc2cc(Br)cc(C)c2O)CCC[NH2+]1 ZINC000841067276 1315466788 /nfs/dbraw/zinc/46/67/88/1315466788.db2.gz MNAQUKVNHJLWGU-OAHLLOKOSA-N 2 1 343.265 2.321 20 10 EECDMP Oc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC001256596067 1318794865 /nfs/dbraw/zinc/79/48/65/1318794865.db2.gz SMZJPZVUWVVZLM-HXUWFJFHSA-N 2 1 342.439 2.385 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)CC[C@H]2CCC[N@H+]2C)cc1C ZINC001160274203 1320119553 /nfs/dbraw/zinc/11/95/53/1320119553.db2.gz QNIZOAUNKJZLPE-GOSISDBHSA-N 2 1 347.503 2.474 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)([NH3+])CC3)c(F)c2)CC1 ZINC001205289066 1322343405 /nfs/dbraw/zinc/34/34/05/1322343405.db2.gz SFAGDIDZTNQVAI-IBGZPJMESA-N 3 1 334.483 2.281 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[C@](C)([NH3+])CC3)c(F)c2)CC1 ZINC001205289066 1322343413 /nfs/dbraw/zinc/34/34/13/1322343413.db2.gz SFAGDIDZTNQVAI-IBGZPJMESA-N 2 1 334.483 2.281 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001206002729 1323367232 /nfs/dbraw/zinc/36/72/32/1323367232.db2.gz AAIKOYWFQLQOQE-GDBMZVCRSA-N 3 1 335.492 2.269 20 10 EECDMP COC1CCN(c2ccc(C[N@H+]3C[C@H]4CC[NH2+]C[C@H]4C3)cc2)CC1 ZINC001578940461 1344322055 /nfs/dbraw/zinc/32/20/55/1344322055.db2.gz GINDLGKRNXSYFP-MSOLQXFVSA-N 2 1 329.488 2.343 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000848718838 1373170586 /nfs/dbraw/zinc/17/05/86/1373170586.db2.gz RBEOOYNPSZIWMB-IRXDYDNUSA-N 2 1 334.483 2.327 20 10 EECDMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765129 783370680 /nfs/dbraw/zinc/37/06/80/783370680.db2.gz LJXZUUGRXCLWBL-FXAWDEMLSA-N 2 1 330.520 2.210 20 10 EECDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765129 783370690 /nfs/dbraw/zinc/37/06/90/783370690.db2.gz LJXZUUGRXCLWBL-FXAWDEMLSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765129 783370699 /nfs/dbraw/zinc/37/06/99/783370699.db2.gz LJXZUUGRXCLWBL-FXAWDEMLSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765129 783370710 /nfs/dbraw/zinc/37/07/10/783370710.db2.gz LJXZUUGRXCLWBL-FXAWDEMLSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765129 783370720 /nfs/dbraw/zinc/37/07/20/783370720.db2.gz LJXZUUGRXCLWBL-FXAWDEMLSA-N 3 1 330.520 2.210 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001035125808 783848293 /nfs/dbraw/zinc/84/82/93/783848293.db2.gz OODDAOLAYXTFOE-QZTJIDSGSA-N 2 1 345.487 2.036 20 10 EECDMP CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000825336977 788577338 /nfs/dbraw/zinc/57/73/38/788577338.db2.gz BMJNVTXCOZWLMH-HXUWFJFHSA-N 2 1 330.520 2.353 20 10 EECDMP CCC[N@@H+](C)CCC(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001171731349 796708034 /nfs/dbraw/zinc/70/80/34/796708034.db2.gz CZYLPSCWVVJZBN-UHFFFAOYSA-N 2 1 335.492 2.331 20 10 EECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@@H+]1C ZINC000151512940 463544966 /nfs/dbraw/zinc/54/49/66/463544966.db2.gz GRGQXLQCSGJDOW-GDBMZVCRSA-N 2 1 335.467 2.359 20 10 EECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@H+]1C ZINC000151512940 463544970 /nfs/dbraw/zinc/54/49/70/463544970.db2.gz GRGQXLQCSGJDOW-GDBMZVCRSA-N 2 1 335.467 2.359 20 10 EECDMP CCOc1ccc(O)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000371419747 465784290 /nfs/dbraw/zinc/78/42/90/465784290.db2.gz PKJNNVHZALEAHF-KRWDZBQOSA-N 2 1 333.476 2.003 20 10 EECDMP CCOc1ccc(O)c(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000371419747 465784297 /nfs/dbraw/zinc/78/42/97/465784297.db2.gz PKJNNVHZALEAHF-KRWDZBQOSA-N 2 1 333.476 2.003 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cc2)CC1 ZINC000775736283 577444265 /nfs/dbraw/zinc/44/42/65/577444265.db2.gz BKBBUJZUIMNAMC-MOPGFXCFSA-N 2 1 347.528 2.145 20 10 EECDMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000756548855 577846411 /nfs/dbraw/zinc/84/64/11/577846411.db2.gz LPBLJTISTMXOMV-NFAWXSAZSA-N 2 1 349.450 2.257 20 10 EECDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1O ZINC001273303776 1197999939 /nfs/dbraw/zinc/99/99/39/1197999939.db2.gz GLRDLGNPUJVTAD-LJQANCHMSA-N 2 1 349.450 2.050 20 10 EECDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1O ZINC001273303776 1197999941 /nfs/dbraw/zinc/99/99/41/1197999941.db2.gz GLRDLGNPUJVTAD-LJQANCHMSA-N 2 1 349.450 2.050 20 10 EECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850565833 1277268867 /nfs/dbraw/zinc/26/88/67/1277268867.db2.gz IDYUBUSBAKBMQG-JXFKEZNVSA-N 2 1 331.504 2.468 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235420768 1305224458 /nfs/dbraw/zinc/22/44/58/1305224458.db2.gz ASBBNAPGIZJELO-HOTGVXAUSA-N 3 1 345.487 2.086 20 10 EECDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)CC2CC2)CC1 ZINC001236550505 1305593828 /nfs/dbraw/zinc/59/38/28/1305593828.db2.gz JNPQVOPEBZEEAF-IYARVYRRSA-N 3 1 345.487 2.356 20 10 EECDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC2CC2)CC1 ZINC001236550505 1305593836 /nfs/dbraw/zinc/59/38/36/1305593836.db2.gz JNPQVOPEBZEEAF-IYARVYRRSA-N 2 1 345.487 2.356 20 10 EECDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)CC2CC2)CC1 ZINC001236550505 1305593847 /nfs/dbraw/zinc/59/38/47/1305593847.db2.gz JNPQVOPEBZEEAF-IYARVYRRSA-N 2 1 345.487 2.356 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)C(C)(C)C3)c(F)c2)CC1 ZINC001236942545 1305739215 /nfs/dbraw/zinc/73/92/15/1305739215.db2.gz KQWYOLVMIPWTMJ-UHFFFAOYSA-N 2 1 334.483 2.104 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC(C[NH+](C)C)CC3)c(F)c2)CC1 ZINC001236938842 1305739639 /nfs/dbraw/zinc/73/96/39/1305739639.db2.gz LPHCFAOETLNAMX-UHFFFAOYSA-N 2 1 348.510 2.351 20 10 EECDMP CC[C@@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](CC)[NH2+]1 ZINC001246172199 1310252473 /nfs/dbraw/zinc/25/24/73/1310252473.db2.gz GMQPFMLNFMDVEM-BWTSREIZSA-N 2 1 330.520 2.495 20 10 EECDMP COc1cc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)cc(C[NH+](C)C)c1O ZINC001139255084 1314722045 /nfs/dbraw/zinc/72/20/45/1314722045.db2.gz MNCQBDBPYAWXJQ-LJQANCHMSA-N 2 1 336.476 2.445 20 10 EECDMP CC[N@@H+](CCn1ccnc1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139261047 1314722739 /nfs/dbraw/zinc/72/27/39/1314722739.db2.gz SQAFOGQFIQJLCH-UHFFFAOYSA-N 3 1 332.448 2.181 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(CO)CC3)cc2)CC1 ZINC001139408656 1314740223 /nfs/dbraw/zinc/74/02/23/1314740223.db2.gz OJQDPRQILABFMW-HXUWFJFHSA-N 2 1 331.504 2.423 20 10 EECDMP COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC001139412117 1314741404 /nfs/dbraw/zinc/74/14/04/1314741404.db2.gz FWVXEAKEXJNJBJ-QFBILLFUSA-N 2 1 345.487 2.212 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C)[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001140309283 1314865280 /nfs/dbraw/zinc/86/52/80/1314865280.db2.gz ABVJCZNMRJHEDF-LPHOPBHVSA-N 2 1 345.487 2.069 20 10 EECDMP Oc1ccccc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001203551837 1321910275 /nfs/dbraw/zinc/91/02/75/1321910275.db2.gz PYTRNLOWLBVSMI-UHFFFAOYSA-N 2 1 326.444 2.243 20 10 EECDMP Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001323831736 1333549785 /nfs/dbraw/zinc/54/97/85/1333549785.db2.gz YMIPUMAJCXSZNQ-GJZGRUSLSA-N 2 1 331.460 2.003 20 10 EECDMP CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325928218 1333997686 /nfs/dbraw/zinc/99/76/86/1333997686.db2.gz ILZPSOBVMDQLMT-FQEVSTJZSA-N 2 1 349.494 2.418 20 10 EECDMP CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001325928218 1333997689 /nfs/dbraw/zinc/99/76/89/1333997689.db2.gz ILZPSOBVMDQLMT-FQEVSTJZSA-N 2 1 349.494 2.418 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(C[NH3+])cc3)cc2F)CC1 ZINC001327004249 1334200968 /nfs/dbraw/zinc/20/09/68/1334200968.db2.gz JDXLMKAKVQYOQR-UHFFFAOYSA-N 3 1 342.462 2.326 20 10 EECDMP Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000825246503 788533613 /nfs/dbraw/zinc/53/36/13/788533613.db2.gz BERFQJSSXBIMHS-CYBMUJFWSA-N 2 1 339.867 2.031 20 10 EECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000173362424 791847324 /nfs/dbraw/zinc/84/73/24/791847324.db2.gz HKSWJDFYYLLZMY-QAPCUYQASA-N 2 1 335.467 2.482 20 10 EECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@@H+]1C ZINC000151513006 463544771 /nfs/dbraw/zinc/54/47/71/463544771.db2.gz GRGQXLQCSGJDOW-GOEBONIOSA-N 2 1 335.467 2.359 20 10 EECDMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@H+]1C ZINC000151513006 463544773 /nfs/dbraw/zinc/54/47/73/463544773.db2.gz GRGQXLQCSGJDOW-GOEBONIOSA-N 2 1 335.467 2.359 20 10 EECDMP CC[N@H+]1C[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775711905 577443386 /nfs/dbraw/zinc/44/33/86/577443386.db2.gz KBVLHNOTXOUWRS-MSOLQXFVSA-N 2 1 330.520 2.353 20 10 EECDMP CCN1C[C@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775711905 577443387 /nfs/dbraw/zinc/44/33/87/577443387.db2.gz KBVLHNOTXOUWRS-MSOLQXFVSA-N 2 1 330.520 2.353 20 10 EECDMP CCN1C[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775711905 577443388 /nfs/dbraw/zinc/44/33/88/577443388.db2.gz KBVLHNOTXOUWRS-MSOLQXFVSA-N 2 1 330.520 2.353 20 10 EECDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000762073879 577694496 /nfs/dbraw/zinc/69/44/96/577694496.db2.gz KVCDGSKCSBTSJB-KRWDZBQOSA-N 2 1 345.443 2.489 20 10 EECDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000762073879 577694497 /nfs/dbraw/zinc/69/44/97/577694497.db2.gz KVCDGSKCSBTSJB-KRWDZBQOSA-N 2 1 345.443 2.489 20 10 EECDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001275418595 1205351379 /nfs/dbraw/zinc/35/13/79/1205351379.db2.gz HNMLLRAHDFPFEN-FQEVSTJZSA-N 2 1 347.503 2.337 20 10 EECDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C(C)(C)C1 ZINC001236948161 1305743257 /nfs/dbraw/zinc/74/32/57/1305743257.db2.gz VTGYZCAKEWDRET-UHFFFAOYSA-N 2 1 348.510 2.494 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155193 1305810205 /nfs/dbraw/zinc/81/02/05/1305810205.db2.gz PBACWUNFWMYHKS-HXUWFJFHSA-N 3 1 328.504 2.203 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+](C1CCC1)[C@@H]1CCC[NH2+]C1 ZINC001237155193 1305810216 /nfs/dbraw/zinc/81/02/16/1305810216.db2.gz PBACWUNFWMYHKS-HXUWFJFHSA-N 3 1 328.504 2.203 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+](CCO)CC(C)(C)C)cc2F)CC1 ZINC001116443597 1305885991 /nfs/dbraw/zinc/88/59/91/1305885991.db2.gz BVRNIJRUQTVANE-UHFFFAOYSA-N 2 1 337.483 2.418 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)CC(C)(C)C)cc2F)CC1 ZINC001116443597 1305885999 /nfs/dbraw/zinc/88/59/99/1305885999.db2.gz BVRNIJRUQTVANE-UHFFFAOYSA-N 2 1 337.483 2.418 20 10 EECDMP CN(CC[NH+]1CCCC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117593756 1306121347 /nfs/dbraw/zinc/12/13/47/1306121347.db2.gz CTZDPGDREQWABF-UHFFFAOYSA-N 2 1 334.483 2.105 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140302451 1314861490 /nfs/dbraw/zinc/86/14/90/1314861490.db2.gz RJFYXEBOLWMLRC-MOPGFXCFSA-N 2 1 329.488 2.297 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4=O)cc2)CC1 ZINC001140304386 1314862036 /nfs/dbraw/zinc/86/20/36/1314862036.db2.gz MYMCOMDMMQRJIZ-HDICACEKSA-N 2 1 327.472 2.239 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](CC(=O)OC)C3)cc2)CC1 ZINC001140309661 1314865368 /nfs/dbraw/zinc/86/53/68/1314865368.db2.gz PJAHSCPQTUKZMC-GOSISDBHSA-N 2 1 345.487 2.214 20 10 EECDMP COCC[N@@H+](Cc1ccc2c(c1)OCCN2C)C1CCN(C)CC1 ZINC001141143397 1315049646 /nfs/dbraw/zinc/04/96/46/1315049646.db2.gz XLFAMCDESONTIA-UHFFFAOYSA-N 2 1 333.476 2.058 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC000843119880 1315847851 /nfs/dbraw/zinc/84/78/51/1315847851.db2.gz JMRIOHAYLBSHMH-UHFFFAOYSA-N 3 1 328.504 2.014 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC000843119880 1315847855 /nfs/dbraw/zinc/84/78/55/1315847855.db2.gz JMRIOHAYLBSHMH-UHFFFAOYSA-N 2 1 328.504 2.014 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC000843119880 1315847857 /nfs/dbraw/zinc/84/78/57/1315847857.db2.gz JMRIOHAYLBSHMH-UHFFFAOYSA-N 2 1 328.504 2.014 20 10 EECDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205558917 1323195322 /nfs/dbraw/zinc/19/53/22/1323195322.db2.gz LNZHXVNKJSULEI-LJQANCHMSA-N 2 1 335.467 2.301 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2F)CC1 ZINC001332357600 1335809528 /nfs/dbraw/zinc/80/95/28/1335809528.db2.gz AVIRLAPKBMGHOW-UHFFFAOYSA-N 2 1 346.494 2.153 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2F)CC1 ZINC001332357600 1335809532 /nfs/dbraw/zinc/80/95/32/1335809532.db2.gz AVIRLAPKBMGHOW-UHFFFAOYSA-N 3 1 346.494 2.153 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2F)CC1 ZINC001332357600 1335809533 /nfs/dbraw/zinc/80/95/33/1335809533.db2.gz AVIRLAPKBMGHOW-UHFFFAOYSA-N 3 1 346.494 2.153 20 10 EECDMP COC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)C ZINC001337241593 1336669255 /nfs/dbraw/zinc/66/92/55/1336669255.db2.gz YWPOADFIZPHALS-UHFFFAOYSA-N 2 1 333.476 2.069 20 10 EECDMP COC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)C ZINC001337241593 1336669257 /nfs/dbraw/zinc/66/92/57/1336669257.db2.gz YWPOADFIZPHALS-UHFFFAOYSA-N 2 1 333.476 2.069 20 10 EECDMP CCOc1ccc(O)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000371419748 465784802 /nfs/dbraw/zinc/78/48/02/465784802.db2.gz PKJNNVHZALEAHF-QGZVFWFLSA-N 2 1 333.476 2.003 20 10 EECDMP CCOc1ccc(O)c(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000371419748 465784812 /nfs/dbraw/zinc/78/48/12/465784812.db2.gz PKJNNVHZALEAHF-QGZVFWFLSA-N 2 1 333.476 2.003 20 10 EECDMP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000377387234 467055911 /nfs/dbraw/zinc/05/59/11/467055911.db2.gz STJNZCNEPUAEAY-GFCCVEGCSA-N 2 1 341.858 2.443 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)cc2)CC1 ZINC000775742331 577444492 /nfs/dbraw/zinc/44/44/92/577444492.db2.gz UEWQWQKBMLSYMB-CTNGQTDRSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000775742331 577444493 /nfs/dbraw/zinc/44/44/93/577444493.db2.gz UEWQWQKBMLSYMB-CTNGQTDRSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000775742331 577444494 /nfs/dbraw/zinc/44/44/94/577444494.db2.gz UEWQWQKBMLSYMB-CTNGQTDRSA-N 3 1 342.531 2.355 20 10 EECDMP COc1cccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1O ZINC001275271769 1205294666 /nfs/dbraw/zinc/29/46/66/1205294666.db2.gz XYFGXPZRPBCEDV-UXHICEINSA-N 2 1 347.503 2.487 20 10 EECDMP Cc1c(O)ccc(C[N@@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001276118112 1205782158 /nfs/dbraw/zinc/78/21/58/1205782158.db2.gz OADJPDHGCVYDSN-FQEVSTJZSA-N 2 1 347.503 2.256 20 10 EECDMP CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)c3O)C[C@@H]1C[NH2+]CCC2 ZINC001222136419 1299379800 /nfs/dbraw/zinc/37/98/00/1299379800.db2.gz UNYOAPPDSJLUFF-LPHOPBHVSA-N 2 1 332.444 2.065 20 10 EECDMP CCOC(=O)[C@]12C[N@H+](Cc3cc(Cl)ccc3O)C[C@H]1C[NH2+]CC2 ZINC001236038261 1305481293 /nfs/dbraw/zinc/48/12/93/1305481293.db2.gz OUONIMJWLCZMLL-CXAGYDPISA-N 2 1 338.835 2.020 20 10 EECDMP CCOC(=O)[C@]12C[N@@H+](Cc3cc(Cl)ccc3O)C[C@H]1C[NH2+]CC2 ZINC001236038261 1305481301 /nfs/dbraw/zinc/48/13/01/1305481301.db2.gz OUONIMJWLCZMLL-CXAGYDPISA-N 2 1 338.835 2.020 20 10 EECDMP COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139408679 1314740264 /nfs/dbraw/zinc/74/02/64/1314740264.db2.gz OZRMHMUURIIWNY-SJLPKXTDSA-N 2 1 345.487 2.212 20 10 EECDMP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205690591 1323248462 /nfs/dbraw/zinc/24/84/62/1323248462.db2.gz WCISPOIGRNJEQS-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c1O ZINC001205690591 1323248475 /nfs/dbraw/zinc/24/84/75/1323248475.db2.gz WCISPOIGRNJEQS-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206021692 1323371733 /nfs/dbraw/zinc/37/17/33/1323371733.db2.gz ATAORGPAMJQGMO-IAGOWNOFSA-N 3 1 348.510 2.384 20 10 EECDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206021692 1323371743 /nfs/dbraw/zinc/37/17/43/1323371743.db2.gz ATAORGPAMJQGMO-IAGOWNOFSA-N 2 1 348.510 2.384 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206021692 1323371745 /nfs/dbraw/zinc/37/17/45/1323371745.db2.gz ATAORGPAMJQGMO-IAGOWNOFSA-N 2 1 348.510 2.384 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556001 1323531659 /nfs/dbraw/zinc/53/16/59/1323531659.db2.gz MDBJWUFEYZNEFN-HXUWFJFHSA-N 3 1 330.520 2.389 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCCC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556001 1323531664 /nfs/dbraw/zinc/53/16/64/1323531664.db2.gz MDBJWUFEYZNEFN-HXUWFJFHSA-N 2 1 330.520 2.389 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCCC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC001206556001 1323531667 /nfs/dbraw/zinc/53/16/67/1323531667.db2.gz MDBJWUFEYZNEFN-HXUWFJFHSA-N 2 1 330.520 2.389 20 10 EECDMP CN1CCCc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc21 ZINC000848525915 1373156893 /nfs/dbraw/zinc/15/68/93/1373156893.db2.gz SCRBNVCBJIVHPN-LJQANCHMSA-N 2 1 329.488 2.412 20 10 EECDMP CN(C)c1ccc(C[NH2+]C2(C[NH3+])CCOCC2)c(C(F)(F)F)c1 ZINC001578425610 1403753403 /nfs/dbraw/zinc/75/34/03/1403753403.db2.gz IJVKQSQRJILEIN-UHFFFAOYSA-N 2 1 331.382 2.369 20 10 EECDMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940418 785086616 /nfs/dbraw/zinc/08/66/16/785086616.db2.gz GTLTXWOSPKMKER-DJJJIMSYSA-N 2 1 327.476 2.265 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)C3CCSCC3)cc2)CC1 ZINC000825134109 788452091 /nfs/dbraw/zinc/45/20/91/788452091.db2.gz VIWKMUMJMWASAH-UHFFFAOYSA-N 2 1 349.544 2.128 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C2CC2)O1 ZINC000793214406 810190075 /nfs/dbraw/zinc/19/00/75/810190075.db2.gz OCHFFUJCQOAQLH-OXJNMPFZSA-N 2 1 329.488 2.438 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370698980 466970437 /nfs/dbraw/zinc/97/04/37/466970437.db2.gz KJTHNUBUADOSHB-QFBILLFUSA-N 2 1 347.503 2.249 20 10 EECDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)C1 ZINC000738214203 578004051 /nfs/dbraw/zinc/00/40/51/578004051.db2.gz OUHODVABIJFRSQ-KRWDZBQOSA-N 2 1 340.471 2.152 20 10 EECDMP CN1CCN(c2ccc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000775023985 577426811 /nfs/dbraw/zinc/42/68/11/577426811.db2.gz PCJFAEMYNLBHRQ-UHFFFAOYSA-N 2 1 342.531 2.402 20 10 EECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc2n(n1)CCC2 ZINC000883291129 1202041801 /nfs/dbraw/zinc/04/18/01/1202041801.db2.gz SZBHXFOMNGEDCI-MRXNPFEDSA-N 2 1 339.487 2.432 20 10 EECDMP COc1ccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001275276445 1205295674 /nfs/dbraw/zinc/29/56/74/1205295674.db2.gz ZGVAAPGIOWCEQG-FQEVSTJZSA-N 2 1 347.503 2.250 20 10 EECDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1cc(F)ccc1O)CC2 ZINC001275912486 1205582002 /nfs/dbraw/zinc/58/20/02/1205582002.db2.gz AOBQWZMUQDARCH-UHFFFAOYSA-N 2 1 335.467 2.381 20 10 EECDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001277420691 1302946080 /nfs/dbraw/zinc/94/60/80/1302946080.db2.gz FNIXPRIYPPMXIG-IBGZPJMESA-N 2 1 332.444 2.025 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001277420691 1302946084 /nfs/dbraw/zinc/94/60/84/1302946084.db2.gz FNIXPRIYPPMXIG-IBGZPJMESA-N 2 1 332.444 2.025 20 10 EECDMP CCOC(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236037233 1305479808 /nfs/dbraw/zinc/47/98/08/1305479808.db2.gz FDWIGTYQEKWPFS-GOSISDBHSA-N 2 1 345.487 2.261 20 10 EECDMP Cc1cccc(O)c1C[NH+]1C[C@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001237488142 1305955682 /nfs/dbraw/zinc/95/56/82/1305955682.db2.gz JNLMBZYXPINRLP-QZTJIDSGSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(O)c1C[NH+]1C[C@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001237488142 1305955685 /nfs/dbraw/zinc/95/56/85/1305955685.db2.gz JNLMBZYXPINRLP-QZTJIDSGSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001237488142 1305955690 /nfs/dbraw/zinc/95/56/90/1305955690.db2.gz JNLMBZYXPINRLP-QZTJIDSGSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(O)c1C[N@H+]1C[C@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001237488142 1305955697 /nfs/dbraw/zinc/95/56/97/1305955697.db2.gz JNLMBZYXPINRLP-QZTJIDSGSA-N 2 1 340.471 2.388 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCn4c(C)[nH+]cc4C3)cc2)CC1 ZINC001140302118 1314860028 /nfs/dbraw/zinc/86/00/28/1314860028.db2.gz KJCMVKHVGIBJKY-UHFFFAOYSA-N 2 1 339.487 2.349 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[NH+]3CC(N4CC[C@H](F)C4)C3)cc2)CC1 ZINC001140303794 1314861764 /nfs/dbraw/zinc/86/17/64/1314861764.db2.gz ASKGPZYTPMYNFU-SFHVURJKSA-N 2 1 346.494 2.057 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCC3(O)CCC3)cc2F)CC1 ZINC001261389768 1322087839 /nfs/dbraw/zinc/08/78/39/1322087839.db2.gz ROFVPFKQPSZYPQ-UHFFFAOYSA-N 2 1 335.467 2.362 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@](F)(C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205558802 1323194615 /nfs/dbraw/zinc/19/46/15/1323194615.db2.gz IRORRRMJUCZQOU-SFHVURJKSA-N 3 1 339.455 2.115 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002744 1323366920 /nfs/dbraw/zinc/36/69/20/1323366920.db2.gz AFENOFIRACKVKX-PKOBYXMFSA-N 3 1 330.520 2.245 20 10 EECDMP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002744 1323366926 /nfs/dbraw/zinc/36/69/26/1323366926.db2.gz AFENOFIRACKVKX-PKOBYXMFSA-N 2 1 330.520 2.245 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002744 1323366931 /nfs/dbraw/zinc/36/69/31/1323366931.db2.gz AFENOFIRACKVKX-PKOBYXMFSA-N 2 1 330.520 2.245 20 10 EECDMP CN1CCCc2cc(C[N@H+]3CC[C@H]4CN(CC[NH+](C)C)C[C@H]43)ccc21 ZINC001276581756 1324654842 /nfs/dbraw/zinc/65/48/42/1324654842.db2.gz SJIUBERERTUVAE-PZJWPPBQSA-N 2 1 342.531 2.137 20 10 EECDMP CC(C)[N@@H+]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001320466127 1332890817 /nfs/dbraw/zinc/89/08/17/1332890817.db2.gz DEKSBLKMFDOOQB-UHFFFAOYSA-N 2 1 348.510 2.494 20 10 EECDMP CC(C)[N@H+]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001320466127 1332890819 /nfs/dbraw/zinc/89/08/19/1332890819.db2.gz DEKSBLKMFDOOQB-UHFFFAOYSA-N 2 1 348.510 2.494 20 10 EECDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001323831734 1333549647 /nfs/dbraw/zinc/54/96/47/1333549647.db2.gz YMIPUMAJCXSZNQ-CABCVRRESA-N 2 1 331.460 2.003 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[C@H]3O)cc2F)CC1 ZINC001324459328 1333688175 /nfs/dbraw/zinc/68/81/75/1333688175.db2.gz RUQXRVFYKXVEOB-QFBILLFUSA-N 2 1 335.467 2.218 20 10 EECDMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001328681551 1334497481 /nfs/dbraw/zinc/49/74/81/1334497481.db2.gz OCOJEWVARHRUGA-LJQANCHMSA-N 2 1 340.475 2.174 20 10 EECDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963548 1349082966 /nfs/dbraw/zinc/08/29/66/1349082966.db2.gz LAZWDSKBKNBVPR-KGLIPLIRSA-N 2 1 344.463 2.343 20 10 EECDMP CN(C)c1[nH+]cc(CN(C)c2ccc(OCC[NH+](C)C)cc2)n1C ZINC000822470324 787222320 /nfs/dbraw/zinc/22/23/20/787222320.db2.gz MEEDUGDXZIAZBC-UHFFFAOYSA-N 2 1 331.464 2.063 20 10 EECDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001168996549 803562857 /nfs/dbraw/zinc/56/28/57/803562857.db2.gz VYTQENNRZOLOCS-PBHICJAKSA-N 2 1 333.432 2.392 20 10 EECDMP COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776001045 577450442 /nfs/dbraw/zinc/45/04/42/577450442.db2.gz OJNNLPYAFPGMQU-QFBILLFUSA-N 2 1 345.487 2.212 20 10 EECDMP COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776001045 577450443 /nfs/dbraw/zinc/45/04/43/577450443.db2.gz OJNNLPYAFPGMQU-QFBILLFUSA-N 2 1 345.487 2.212 20 10 EECDMP CCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(O)c1 ZINC000769379646 577576614 /nfs/dbraw/zinc/57/66/14/577576614.db2.gz DAEMKIKEWDSBAM-KRWDZBQOSA-N 2 1 333.476 2.003 20 10 EECDMP CCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(O)c1 ZINC000769379646 577576615 /nfs/dbraw/zinc/57/66/15/577576615.db2.gz DAEMKIKEWDSBAM-KRWDZBQOSA-N 2 1 333.476 2.003 20 10 EECDMP CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000769525576 577579724 /nfs/dbraw/zinc/57/97/24/577579724.db2.gz IPWUDOVPQRTNOM-QFBILLFUSA-N 2 1 347.503 2.249 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1C ZINC001020590351 675219467 /nfs/dbraw/zinc/21/94/67/675219467.db2.gz SZTZXXZPHTXERP-ZTFGCOKTSA-N 2 1 345.487 2.082 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C(C)(C)O)C3)cc2)CC1 ZINC000877797339 1200113873 /nfs/dbraw/zinc/11/38/73/1200113873.db2.gz UEQMMVSIKZNSSH-SFHVURJKSA-N 2 1 331.504 2.421 20 10 EECDMP Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1O ZINC001275821665 1205550899 /nfs/dbraw/zinc/55/08/99/1205550899.db2.gz XCVAXLFLYGDDGX-CALCHBBNSA-N 2 1 342.443 2.165 20 10 EECDMP Oc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1O ZINC001275821665 1205550902 /nfs/dbraw/zinc/55/09/02/1205550902.db2.gz XCVAXLFLYGDDGX-CALCHBBNSA-N 2 1 342.443 2.165 20 10 EECDMP Oc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)cc1O ZINC001275821665 1205550904 /nfs/dbraw/zinc/55/09/04/1205550904.db2.gz XCVAXLFLYGDDGX-CALCHBBNSA-N 2 1 342.443 2.165 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1c(O)ccc2ccccc21 ZINC001276078493 1205762453 /nfs/dbraw/zinc/76/24/53/1205762453.db2.gz QBMNSIPKUGYIHB-CALCHBBNSA-N 2 1 325.456 2.366 20 10 EECDMP COc1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000926853989 1296941766 /nfs/dbraw/zinc/94/17/66/1296941766.db2.gz KMXRORBJVKMKSY-AWEZNQCLSA-N 2 1 330.432 2.286 20 10 EECDMP CCOC(=O)[C@@]12C[N@@H+](Cc3c(C)ccc(C)c3O)C[C@@H]1C[NH2+]CCC2 ZINC001222130957 1299373974 /nfs/dbraw/zinc/37/39/74/1299373974.db2.gz LRENTIDWSKFVBO-JXFKEZNVSA-N 2 1 346.471 2.374 20 10 EECDMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235239069 1305160302 /nfs/dbraw/zinc/16/03/02/1305160302.db2.gz DYKQPENJYNTJJN-OXQOHEQNSA-N 2 1 327.472 2.404 20 10 EECDMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001235239069 1305160304 /nfs/dbraw/zinc/16/03/04/1305160304.db2.gz DYKQPENJYNTJJN-OXQOHEQNSA-N 2 1 327.472 2.404 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CCCC(=O)[C@@H]4C3)c(F)c2)CC1 ZINC001236949064 1305742455 /nfs/dbraw/zinc/74/24/55/1305742455.db2.gz ZLNSYTLCKLEOLY-CRAIPNDOSA-N 2 1 345.462 2.379 20 10 EECDMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324159133 1333620834 /nfs/dbraw/zinc/62/08/34/1333620834.db2.gz MWDFTMCCJXMHHF-JKSUJKDBSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324159133 1333620836 /nfs/dbraw/zinc/62/08/36/1333620836.db2.gz MWDFTMCCJXMHHF-JKSUJKDBSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332339863 1335806078 /nfs/dbraw/zinc/80/60/78/1335806078.db2.gz RBOQYIQWTVVXIO-CRAIPNDOSA-N 2 1 334.483 2.279 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834172 1337582197 /nfs/dbraw/zinc/58/21/97/1337582197.db2.gz KQNQZLURFBYSSZ-SOLBZPMBSA-N 2 1 348.510 2.383 20 10 EECDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834172 1337582200 /nfs/dbraw/zinc/58/22/00/1337582200.db2.gz KQNQZLURFBYSSZ-SOLBZPMBSA-N 3 1 348.510 2.383 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834172 1337582203 /nfs/dbraw/zinc/58/22/03/1337582203.db2.gz KQNQZLURFBYSSZ-SOLBZPMBSA-N 3 1 348.510 2.383 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834169 1337582388 /nfs/dbraw/zinc/58/23/88/1337582388.db2.gz KQNQZLURFBYSSZ-JFIYKMOQSA-N 2 1 348.510 2.383 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834169 1337582391 /nfs/dbraw/zinc/58/23/91/1337582391.db2.gz KQNQZLURFBYSSZ-JFIYKMOQSA-N 3 1 348.510 2.383 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C[NH3+] ZINC001348834169 1337582393 /nfs/dbraw/zinc/58/23/93/1337582393.db2.gz KQNQZLURFBYSSZ-JFIYKMOQSA-N 3 1 348.510 2.383 20 10 EECDMP C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703909 783320520 /nfs/dbraw/zinc/32/05/20/783320520.db2.gz RTDMMRLQKLIOIH-GHTZIAJQSA-N 2 1 342.531 2.497 20 10 EECDMP C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703909 783320530 /nfs/dbraw/zinc/32/05/30/783320530.db2.gz RTDMMRLQKLIOIH-GHTZIAJQSA-N 2 1 342.531 2.497 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000817865533 785031593 /nfs/dbraw/zinc/03/15/93/785031593.db2.gz KNRUDRBXBNPHCU-LMMKCTJWSA-N 3 1 330.520 2.244 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000817865533 785031603 /nfs/dbraw/zinc/03/16/03/785031603.db2.gz KNRUDRBXBNPHCU-LMMKCTJWSA-N 2 1 330.520 2.244 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000817865533 785031606 /nfs/dbraw/zinc/03/16/06/785031606.db2.gz KNRUDRBXBNPHCU-LMMKCTJWSA-N 2 1 330.520 2.244 20 10 EECDMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817940420 785086751 /nfs/dbraw/zinc/08/67/51/785086751.db2.gz GTLTXWOSPKMKER-YJYMSZOUSA-N 2 1 327.476 2.265 20 10 EECDMP CC1CCN(c2ccc(C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)cc2)CC1 ZINC000819040128 785372167 /nfs/dbraw/zinc/37/21/67/785372167.db2.gz VYFWRRUORLKPRO-FQEVSTJZSA-N 2 1 331.504 2.468 20 10 EECDMP CC1CCN(c2ccc(C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)cc2)CC1 ZINC000819040128 785372175 /nfs/dbraw/zinc/37/21/75/785372175.db2.gz VYFWRRUORLKPRO-FQEVSTJZSA-N 2 1 331.504 2.468 20 10 EECDMP CC(=O)c1cc(F)cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000289479106 464080872 /nfs/dbraw/zinc/08/08/72/464080872.db2.gz RMWGSHYAQINACS-UHFFFAOYSA-N 2 1 339.455 2.049 20 10 EECDMP CC(=O)c1cc(F)cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000289479106 464080876 /nfs/dbraw/zinc/08/08/76/464080876.db2.gz RMWGSHYAQINACS-UHFFFAOYSA-N 2 1 339.455 2.049 20 10 EECDMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Cl)ccc1O ZINC000775498855 577438482 /nfs/dbraw/zinc/43/84/82/577438482.db2.gz ONPYFPCNNNECJJ-OAHLLOKOSA-N 2 1 339.867 2.250 20 10 EECDMP C[N@H+]1[C@@H]2CC[C@H]1CN(Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000775717876 577443611 /nfs/dbraw/zinc/44/36/11/577443611.db2.gz SMBZNRYTXMHVJT-QUCCMNQESA-N 2 1 328.504 2.107 20 10 EECDMP CN1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000775717876 577443612 /nfs/dbraw/zinc/44/36/12/577443612.db2.gz SMBZNRYTXMHVJT-QUCCMNQESA-N 2 1 328.504 2.107 20 10 EECDMP CN1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)CC2 ZINC000775717876 577443613 /nfs/dbraw/zinc/44/36/13/577443613.db2.gz SMBZNRYTXMHVJT-QUCCMNQESA-N 2 1 328.504 2.107 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC000983322933 682276367 /nfs/dbraw/zinc/27/63/67/682276367.db2.gz NYOCGJBRHMUUBP-KZNAEPCWSA-N 2 1 345.487 2.082 20 10 EECDMP Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(CC(=O)N(C)C)C3)C2)c1O ZINC001276080742 1205764430 /nfs/dbraw/zinc/76/44/30/1205764430.db2.gz TYUBIUZZBOOIHN-FQEVSTJZSA-N 2 1 345.487 2.077 20 10 EECDMP CCC[N@@H+]1CCC[C@H]1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000796521439 1220805864 /nfs/dbraw/zinc/80/58/64/1220805864.db2.gz GUQAMIYPFRMASJ-FQEVSTJZSA-N 2 1 330.520 2.402 20 10 EECDMP CCC[N@H+]1CCC[C@H]1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000796521439 1220805870 /nfs/dbraw/zinc/80/58/70/1220805870.db2.gz GUQAMIYPFRMASJ-FQEVSTJZSA-N 2 1 330.520 2.402 20 10 EECDMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000854232166 1292681741 /nfs/dbraw/zinc/68/17/41/1292681741.db2.gz QNAZPUWAAKQZKT-CQSZACIVSA-N 2 1 341.459 2.482 20 10 EECDMP Cc1cc(C)c(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001231850227 1303930673 /nfs/dbraw/zinc/93/06/73/1303930673.db2.gz MOXHRNQEBYWAPN-UHFFFAOYSA-N 2 1 331.504 2.468 20 10 EECDMP CC[NH+]1CCN(c2ccc(O[C@H]3C[C@@H]4CC(=O)C[C@H]3[N@H+]4C)cc2)CC1 ZINC001234657103 1305002630 /nfs/dbraw/zinc/00/26/30/1305002630.db2.gz BBCCYACXQUGQTJ-DBVUQKKJSA-N 2 1 343.471 2.012 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@]1(C)O ZINC001236932533 1305735610 /nfs/dbraw/zinc/73/56/10/1305735610.db2.gz RHTJXZBZNSOQIM-BEFAXECRSA-N 2 1 335.467 2.170 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@H](O)CC3)cc2)CC1 ZINC001140301966 1314859969 /nfs/dbraw/zinc/85/99/69/1314859969.db2.gz FZEYXCBFLOOYNX-XLIONFOSSA-N 2 1 331.504 2.421 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206640332 1323552533 /nfs/dbraw/zinc/55/25/33/1323552533.db2.gz IUKOGADDPPMHCW-MRXNPFEDSA-N 3 1 334.483 2.138 20 10 EECDMP CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001323980745 1333583344 /nfs/dbraw/zinc/58/33/44/1333583344.db2.gz YLPCUVOSCPOXJK-FQEVSTJZSA-N 2 1 331.504 2.279 20 10 EECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC001325321795 1333863241 /nfs/dbraw/zinc/86/32/41/1333863241.db2.gz ZSHNLKQWJBIVLT-WBVHZDCISA-N 3 1 334.483 2.055 20 10 EECDMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326221832 1334046131 /nfs/dbraw/zinc/04/61/31/1334046131.db2.gz KENPOFIMTAFQQV-WBVHZDCISA-N 2 1 334.483 2.137 20 10 EECDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCN(C)C1 ZINC001328522030 1334473763 /nfs/dbraw/zinc/47/37/63/1334473763.db2.gz IZTRRPCIXUXNHE-SFHVURJKSA-N 2 1 348.510 2.494 20 10 EECDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCN(C)C1 ZINC001328522030 1334473766 /nfs/dbraw/zinc/47/37/66/1334473766.db2.gz IZTRRPCIXUXNHE-SFHVURJKSA-N 2 1 348.510 2.494 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC[C@H]3CO)cc2F)CC1 ZINC001332009033 1335704481 /nfs/dbraw/zinc/70/44/81/1335704481.db2.gz BCZGHYNWRMLANB-KRWDZBQOSA-N 2 1 335.467 2.314 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@H]3CO)cc2F)CC1 ZINC001332009033 1335704487 /nfs/dbraw/zinc/70/44/87/1335704487.db2.gz BCZGHYNWRMLANB-KRWDZBQOSA-N 2 1 335.467 2.314 20 10 EECDMP CC(C)c1ccc(O)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC001575858800 1343904998 /nfs/dbraw/zinc/90/49/98/1343904998.db2.gz PTRSPIGYWCRIOY-QGZVFWFLSA-N 2 1 333.476 2.335 20 10 EECDMP O=C1CC[C@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)CCN12 ZINC001172164318 796908626 /nfs/dbraw/zinc/90/86/26/796908626.db2.gz ZFGWZKJWPZNZIC-ROUUACIJSA-N 2 1 343.471 2.100 20 10 EECDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001168996550 803562479 /nfs/dbraw/zinc/56/24/79/803562479.db2.gz VYTQENNRZOLOCS-RHSMWYFYSA-N 2 1 333.432 2.392 20 10 EECDMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000788256442 807451564 /nfs/dbraw/zinc/45/15/64/807451564.db2.gz JOXKHBSJEMYNMW-CQSZACIVSA-N 2 1 332.423 2.289 20 10 EECDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)[C@@H](O)CO2 ZINC000768466129 577556525 /nfs/dbraw/zinc/55/65/25/577556525.db2.gz MPLOORZIJUGFMG-KSSFIOAISA-N 2 1 332.444 2.126 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)[C@@H](O)CO2 ZINC000768466129 577556526 /nfs/dbraw/zinc/55/65/26/577556526.db2.gz MPLOORZIJUGFMG-KSSFIOAISA-N 2 1 332.444 2.126 20 10 EECDMP COc1cccc(O)c1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000769191440 577572051 /nfs/dbraw/zinc/57/20/51/577572051.db2.gz ANAUQAZNRSDMNK-CALCHBBNSA-N 2 1 347.503 2.391 20 10 EECDMP COc1cccc(O)c1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000769191440 577572052 /nfs/dbraw/zinc/57/20/52/577572052.db2.gz ANAUQAZNRSDMNK-CALCHBBNSA-N 2 1 347.503 2.391 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000763332793 577719306 /nfs/dbraw/zinc/71/93/06/577719306.db2.gz GMMNVFNHOMWGOR-AEFFLSMTSA-N 2 1 347.503 2.167 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001022976596 678884260 /nfs/dbraw/zinc/88/42/60/678884260.db2.gz BDPNFMJDSOIUEL-OKZBNKHCSA-N 2 1 345.487 2.082 20 10 EECDMP Cc1ccc(O)c(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001272622795 1190936188 /nfs/dbraw/zinc/93/61/88/1190936188.db2.gz RMIIKCHRCVQQOX-FQEVSTJZSA-N 2 1 345.487 2.219 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)cc2)CC1 ZINC000858246309 1294060106 /nfs/dbraw/zinc/06/01/06/1294060106.db2.gz ZWUNEJCDNJPPCQ-IBGZPJMESA-N 3 1 330.520 2.260 20 10 EECDMP CC(C)C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236475905 1305586373 /nfs/dbraw/zinc/58/63/73/1305586373.db2.gz TYYIWLJJXQLYTD-LJQANCHMSA-N 3 1 346.519 2.012 20 10 EECDMP CC(C)CN(Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]C1 ZINC001236475905 1305586380 /nfs/dbraw/zinc/58/63/80/1305586380.db2.gz TYYIWLJJXQLYTD-LJQANCHMSA-N 2 1 346.519 2.012 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc(C[NH+](C)C)c1O ZINC001139254648 1314722326 /nfs/dbraw/zinc/72/23/26/1314722326.db2.gz KKVCBBICWGMNTB-IBGZPJMESA-N 2 1 334.460 2.465 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@](C)(O)C3)cc2)CC1 ZINC001140302527 1314861086 /nfs/dbraw/zinc/86/10/86/1314861086.db2.gz SZPFUSGRXYUIGG-YLJYHZDGSA-N 2 1 331.504 2.421 20 10 EECDMP COC[C@@]1(C[NH2+]Cc2cc(Br)ccc2O)CCC[NH2+]1 ZINC000841068305 1315467403 /nfs/dbraw/zinc/46/74/03/1315467403.db2.gz YUXRJNALDSJERC-AWEZNQCLSA-N 2 1 329.238 2.013 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc2)CC1 ZINC000843045808 1315827964 /nfs/dbraw/zinc/82/79/64/1315827964.db2.gz KOMVBPSTWIVNRF-OAQYLSRUSA-N 2 1 342.531 2.402 20 10 EECDMP [NH3+]CC1CC[NH+](Cc2cccc(I)c2O)CC1 ZINC001205053032 1322272991 /nfs/dbraw/zinc/27/29/91/1322272991.db2.gz HIKYIFGWXJHMQL-UHFFFAOYSA-N 2 1 346.212 2.168 20 10 EECDMP Cc1cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)cc1Br ZINC001205735674 1323274886 /nfs/dbraw/zinc/27/48/86/1323274886.db2.gz PKHDCKHTBSZLMC-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP Cc1cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(O)cc1Br ZINC001205735674 1323274888 /nfs/dbraw/zinc/27/48/88/1323274888.db2.gz PKHDCKHTBSZLMC-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP C[NH+](C)CCN1CCC12C[NH+](Cc1ccc(N3CCCCC3)cc1)C2 ZINC001276551833 1324238050 /nfs/dbraw/zinc/23/80/50/1324238050.db2.gz RZHAMBKNJIWMBU-UHFFFAOYSA-N 2 1 342.531 2.499 20 10 EECDMP COC(=O)CC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001320110792 1332828606 /nfs/dbraw/zinc/82/86/06/1332828606.db2.gz ZAPMJRBIDOUUOQ-UHFFFAOYSA-N 2 1 349.450 2.153 20 10 EECDMP CO[C@H]([C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001327952400 1334369343 /nfs/dbraw/zinc/36/93/43/1334369343.db2.gz RCQXKMKMKJSYIY-IFXJQAMLSA-N 2 1 335.467 2.481 20 10 EECDMP CCCN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CC[NH2+]C1 ZINC001329428918 1334647702 /nfs/dbraw/zinc/64/77/02/1334647702.db2.gz VPEUTNCJPISGTJ-QGZVFWFLSA-N 2 1 334.483 2.151 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC[C@H]3CCOC3)cc2F)CC1 ZINC001330534348 1334866067 /nfs/dbraw/zinc/86/60/67/1334866067.db2.gz YYRYMJNYDHZMDM-INIZCTEOSA-N 2 1 335.467 2.484 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000793214404 810189833 /nfs/dbraw/zinc/18/98/33/810189833.db2.gz OCHFFUJCQOAQLH-JXFKEZNVSA-N 2 1 329.488 2.438 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C3)CCCOC4)cc2)CC1 ZINC000793619644 810440877 /nfs/dbraw/zinc/44/08/77/810440877.db2.gz JLHVETMKUKUGAV-FQEVSTJZSA-N 2 1 329.488 2.441 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823466 577232840 /nfs/dbraw/zinc/23/28/40/577232840.db2.gz CWARXCJOVSBXBV-UYAOXDASSA-N 3 1 328.504 2.155 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823466 577232841 /nfs/dbraw/zinc/23/28/41/577232841.db2.gz CWARXCJOVSBXBV-UYAOXDASSA-N 2 1 328.504 2.155 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823466 577232842 /nfs/dbraw/zinc/23/28/42/577232842.db2.gz CWARXCJOVSBXBV-UYAOXDASSA-N 2 1 328.504 2.155 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1C ZINC000969956511 675343461 /nfs/dbraw/zinc/34/34/61/675343461.db2.gz XOJCFUBKSRPLBF-MAUKXSAKSA-N 2 1 345.487 2.036 20 10 EECDMP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000702559971 1196011021 /nfs/dbraw/zinc/01/10/21/1196011021.db2.gz AWWAGHVOVOOPPN-FQEVSTJZSA-N 2 1 342.439 2.127 20 10 EECDMP COc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000702559971 1196011023 /nfs/dbraw/zinc/01/10/23/1196011023.db2.gz AWWAGHVOVOOPPN-FQEVSTJZSA-N 2 1 342.439 2.127 20 10 EECDMP Oc1ccc(-c2ccc(F)cc2)cc1CN1CC[NH2+]C[C@]12CC[NH2+]C2 ZINC001234995650 1305079435 /nfs/dbraw/zinc/07/94/35/1305079435.db2.gz YCIYVPKFBXTYHO-HXUWFJFHSA-N 2 1 341.430 2.336 20 10 EECDMP C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c[nH+]ccc1N ZINC000854230404 1292678972 /nfs/dbraw/zinc/67/89/72/1292678972.db2.gz OUGVCKJSHAIEQD-CQSZACIVSA-N 2 1 326.444 2.306 20 10 EECDMP C[NH+](C)CCN1CC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)CCC1=O ZINC001233287003 1304417271 /nfs/dbraw/zinc/41/72/71/1304417271.db2.gz RPHOQBNXDZXEPZ-UHFFFAOYSA-N 2 1 347.503 2.286 20 10 EECDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2cc(O)c(O)cc2O)CC1 ZINC001233484337 1304477241 /nfs/dbraw/zinc/47/72/41/1304477241.db2.gz HHBCQNGPCOHHNF-UHFFFAOYSA-N 2 1 329.400 2.246 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235420771 1305224359 /nfs/dbraw/zinc/22/43/59/1305224359.db2.gz ASBBNAPGIZJELO-JKSUJKDBSA-N 3 1 345.487 2.086 20 10 EECDMP COC(=O)c1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c2ccccc2n1C ZINC001236322496 1305559736 /nfs/dbraw/zinc/55/97/36/1305559736.db2.gz ZATLWNNOAVQEFB-GASCZTMLSA-N 2 1 341.455 2.396 20 10 EECDMP C[NH+](C)CCN(Cc1cc(Cl)cc(F)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236931440 1305734539 /nfs/dbraw/zinc/73/45/39/1305734539.db2.gz GVSFIWKICWXLKO-CQSZACIVSA-N 2 1 329.847 2.300 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(CCOC4)C3)cc2F)CC1 ZINC001116444989 1305886263 /nfs/dbraw/zinc/88/62/63/1305886263.db2.gz KQJQHQGBVJEIHW-LJQANCHMSA-N 2 1 333.451 2.190 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CCOC4)C3)cc2F)CC1 ZINC001116444989 1305886264 /nfs/dbraw/zinc/88/62/64/1305886264.db2.gz KQJQHQGBVJEIHW-LJQANCHMSA-N 2 1 333.451 2.190 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)CC3CCC3)cc2F)CC1 ZINC001117674217 1306142760 /nfs/dbraw/zinc/14/27/60/1306142760.db2.gz YEGKXFSAAFNLHZ-QGZVFWFLSA-N 2 1 335.467 2.218 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256107 1314722143 /nfs/dbraw/zinc/72/21/43/1314722143.db2.gz UCWPKCIWVKXMEA-CRAIPNDOSA-N 2 1 334.460 2.463 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C)[C@H]3CO)cc2)CC1 ZINC001140302659 1314861113 /nfs/dbraw/zinc/86/11/13/1314861113.db2.gz WZMDFGDSXHTAEN-FXAWDEMLSA-N 2 1 331.504 2.421 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(OC)c1 ZINC001205219436 1322317008 /nfs/dbraw/zinc/31/70/08/1322317008.db2.gz CXTCYDNKVSPVNP-LJQANCHMSA-N 2 1 335.492 2.217 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC001308195408 1331571113 /nfs/dbraw/zinc/57/11/13/1331571113.db2.gz CFPIUMCYRFXVAA-SFHVURJKSA-N 3 1 328.504 2.012 20 10 EECDMP CCOCc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)ccc1OC ZINC000848559263 1338721666 /nfs/dbraw/zinc/72/16/66/1338721666.db2.gz RGJZCHXOBKAPHC-UHFFFAOYSA-N 2 1 336.476 2.168 20 10 EECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341214 1372386018 /nfs/dbraw/zinc/38/60/18/1372386018.db2.gz UMYTXOAULPSYDB-AEFFLSMTSA-N 2 1 341.499 2.475 20 10 EECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341214 1372386023 /nfs/dbraw/zinc/38/60/23/1372386023.db2.gz UMYTXOAULPSYDB-AEFFLSMTSA-N 2 1 341.499 2.475 20 10 EECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341214 1372386026 /nfs/dbraw/zinc/38/60/26/1372386026.db2.gz UMYTXOAULPSYDB-AEFFLSMTSA-N 2 1 341.499 2.475 20 10 EECDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765623 783370088 /nfs/dbraw/zinc/37/00/88/783370088.db2.gz PPCOYWJRJQYIAI-MAUKXSAKSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765623 783370098 /nfs/dbraw/zinc/37/00/98/783370098.db2.gz PPCOYWJRJQYIAI-MAUKXSAKSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765623 783370108 /nfs/dbraw/zinc/37/01/08/783370108.db2.gz PPCOYWJRJQYIAI-MAUKXSAKSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765623 783370120 /nfs/dbraw/zinc/37/01/20/783370120.db2.gz PPCOYWJRJQYIAI-MAUKXSAKSA-N 2 1 335.467 2.434 20 10 EECDMP Fc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1N1CCOCC1 ZINC000066970717 462954456 /nfs/dbraw/zinc/95/44/56/462954456.db2.gz LIAZTTRERHXOAJ-UHFFFAOYSA-N 2 1 333.451 2.379 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374254137 467034635 /nfs/dbraw/zinc/03/46/35/467034635.db2.gz LBHQIOYJWUWOKZ-PXNSSMCTSA-N 2 1 330.520 2.210 20 10 EECDMP CC[N@H+]1C[C@@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775711906 577443369 /nfs/dbraw/zinc/44/33/69/577443369.db2.gz KBVLHNOTXOUWRS-QZTJIDSGSA-N 2 1 330.520 2.353 20 10 EECDMP CCN1C[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775711906 577443370 /nfs/dbraw/zinc/44/33/70/577443370.db2.gz KBVLHNOTXOUWRS-QZTJIDSGSA-N 2 1 330.520 2.353 20 10 EECDMP CCN1C[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C ZINC000775711906 577443371 /nfs/dbraw/zinc/44/33/71/577443371.db2.gz KBVLHNOTXOUWRS-QZTJIDSGSA-N 2 1 330.520 2.353 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000775714150 577443481 /nfs/dbraw/zinc/44/34/81/577443481.db2.gz MWFHMXRWRDQNQU-HXUWFJFHSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[C@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000775714150 577443482 /nfs/dbraw/zinc/44/34/82/577443482.db2.gz MWFHMXRWRDQNQU-HXUWFJFHSA-N 2 1 342.531 2.356 20 10 EECDMP COc1ccc(O)c(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1 ZINC001275278305 1205296850 /nfs/dbraw/zinc/29/68/50/1205296850.db2.gz GXEKFNRBLQPAFR-FQEVSTJZSA-N 2 1 347.503 2.250 20 10 EECDMP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)C2)cc1C ZINC001045311691 1233658356 /nfs/dbraw/zinc/65/83/56/1233658356.db2.gz OODDAOLAYXTFOE-MSOLQXFVSA-N 2 1 345.487 2.036 20 10 EECDMP CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000926852823 1296940514 /nfs/dbraw/zinc/94/05/14/1296940514.db2.gz BIJSMBFOKCGTTK-INIZCTEOSA-N 2 1 342.491 2.462 20 10 EECDMP Cc1cccc(O)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001237485659 1305954459 /nfs/dbraw/zinc/95/44/59/1305954459.db2.gz JNLMBZYXPINRLP-MSOLQXFVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(O)c1C[NH+]1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001237485659 1305954465 /nfs/dbraw/zinc/95/44/65/1305954465.db2.gz JNLMBZYXPINRLP-MSOLQXFVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(O)c1C[N@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001237485659 1305954467 /nfs/dbraw/zinc/95/44/67/1305954467.db2.gz JNLMBZYXPINRLP-MSOLQXFVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(O)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001237485659 1305954469 /nfs/dbraw/zinc/95/44/69/1305954469.db2.gz JNLMBZYXPINRLP-MSOLQXFVSA-N 2 1 340.471 2.388 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC4(COC4)C3)cc2)CC1 ZINC001140301883 1314860462 /nfs/dbraw/zinc/86/04/62/1314860462.db2.gz CDOHIJULLJJJRF-UHFFFAOYSA-N 2 1 329.488 2.441 20 10 EECDMP COC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203560894 1321912244 /nfs/dbraw/zinc/91/22/44/1321912244.db2.gz JVTOXGCATFTQSZ-INIZCTEOSA-N 2 1 332.444 2.242 20 10 EECDMP COC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203560894 1321912245 /nfs/dbraw/zinc/91/22/45/1321912245.db2.gz JVTOXGCATFTQSZ-INIZCTEOSA-N 2 1 332.444 2.242 20 10 EECDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)c2c1 ZINC001205239440 1322325411 /nfs/dbraw/zinc/32/54/11/1322325411.db2.gz BGNLZWYVRJGDRQ-LJQANCHMSA-N 2 1 330.428 2.230 20 10 EECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCOCC1 ZINC001308326488 1331583930 /nfs/dbraw/zinc/58/39/30/1331583930.db2.gz HKQAQNULVIBIDD-OAHLLOKOSA-N 2 1 335.467 2.482 20 10 EECDMP Oc1c(F)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001308682761 1331602127 /nfs/dbraw/zinc/60/21/27/1331602127.db2.gz CXABGYYMBBOMJU-KRWDZBQOSA-N 2 1 330.403 2.388 20 10 EECDMP Oc1c(F)cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001308682761 1331602129 /nfs/dbraw/zinc/60/21/29/1331602129.db2.gz CXABGYYMBBOMJU-KRWDZBQOSA-N 2 1 330.403 2.388 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCOCC1 ZINC001323311805 1333437769 /nfs/dbraw/zinc/43/77/69/1333437769.db2.gz VECMZFFWGMILEW-UHFFFAOYSA-N 2 1 335.467 2.436 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CCOCC1 ZINC001323311805 1333437771 /nfs/dbraw/zinc/43/77/71/1333437771.db2.gz VECMZFFWGMILEW-UHFFFAOYSA-N 2 1 335.467 2.436 20 10 EECDMP CC(C)CC[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329160549 1334596971 /nfs/dbraw/zinc/59/69/71/1334596971.db2.gz GNDWHUVMLISCBK-QGZVFWFLSA-N 2 1 337.483 2.464 20 10 EECDMP C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116512633 1371728801 /nfs/dbraw/zinc/72/88/01/1371728801.db2.gz VTGFUOUSRPWEGP-NVXWUHKLSA-N 2 1 335.467 2.170 20 10 EECDMP C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116512633 1371728805 /nfs/dbraw/zinc/72/88/05/1371728805.db2.gz VTGFUOUSRPWEGP-NVXWUHKLSA-N 2 1 335.467 2.170 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001755693590 1407739289 /nfs/dbraw/zinc/73/92/89/1407739289.db2.gz QOEALVGHJZIWDB-WMZOPIPTSA-N 2 1 347.503 2.423 20 10 EECDMP C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703917 783320260 /nfs/dbraw/zinc/32/02/60/783320260.db2.gz RTDMMRLQKLIOIH-WIYYLYMNSA-N 2 1 342.531 2.497 20 10 EECDMP C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703917 783320271 /nfs/dbraw/zinc/32/02/71/783320271.db2.gz RTDMMRLQKLIOIH-WIYYLYMNSA-N 2 1 342.531 2.497 20 10 EECDMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000816642779 784164541 /nfs/dbraw/zinc/16/45/41/784164541.db2.gz KRATTZVVLDIWQU-FQEVSTJZSA-N 2 1 329.488 2.441 20 10 EECDMP CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000370704794 466972603 /nfs/dbraw/zinc/97/26/03/466972603.db2.gz BKXRUWWZYLRTMK-FUHWJXTLSA-N 2 1 347.503 2.249 20 10 EECDMP CCN1CCC([N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775648070 577441825 /nfs/dbraw/zinc/44/18/25/577441825.db2.gz PCZGUYFFILQYBO-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000876934661 1199823537 /nfs/dbraw/zinc/82/35/37/1199823537.db2.gz HZUHUARKTJVYHH-WOJBJXKFSA-N 2 1 329.488 2.364 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000876934661 1199823543 /nfs/dbraw/zinc/82/35/43/1199823543.db2.gz HZUHUARKTJVYHH-WOJBJXKFSA-N 2 1 329.488 2.364 20 10 EECDMP Cc1cccc(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)c1O ZINC001276079704 1205762863 /nfs/dbraw/zinc/76/28/63/1205762863.db2.gz DVBSYMLKIGPIMK-UHFFFAOYSA-N 2 1 345.487 2.077 20 10 EECDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000863646457 1296364778 /nfs/dbraw/zinc/36/47/78/1296364778.db2.gz UJZSYJTYQHDEHK-NWDGAFQWSA-N 2 1 348.365 2.369 20 10 EECDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000863646457 1296364793 /nfs/dbraw/zinc/36/47/93/1296364793.db2.gz UJZSYJTYQHDEHK-NWDGAFQWSA-N 2 1 348.365 2.369 20 10 EECDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001276837839 1299852886 /nfs/dbraw/zinc/85/28/86/1299852886.db2.gz PZSYOAOOEKXGEG-GJZGRUSLSA-N 2 1 341.858 2.395 20 10 EECDMP C[N@@H+]1C[C@H]2CN(Cc3ccc(N4CCOCC4)cc3Cl)C[C@H]2C1 ZINC001236917867 1305727259 /nfs/dbraw/zinc/72/72/59/1305727259.db2.gz BTJUFMBRELXGCV-IYBDPMFKSA-N 2 1 335.879 2.170 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[N@@H+](C)[C@H]4C3)c(F)c2)CC1 ZINC001236948906 1305743357 /nfs/dbraw/zinc/74/33/57/1305743357.db2.gz YDKSAIUAPOZVHV-XLIONFOSSA-N 2 1 346.494 2.104 20 10 EECDMP CCCC[C@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177138 1310253478 /nfs/dbraw/zinc/25/34/78/1310253478.db2.gz ZGRDACIGISWNCP-RBUKOAKNSA-N 2 1 330.520 2.497 20 10 EECDMP Cc1c(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)c2ccccc2n1C ZINC001138258491 1314582857 /nfs/dbraw/zinc/58/28/57/1314582857.db2.gz SZMARDPTVSOBCD-UHFFFAOYSA-N 2 1 342.487 2.083 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[N@@H+](CC)CC3)cc2)CC1 ZINC001140301070 1314858931 /nfs/dbraw/zinc/85/89/31/1314858931.db2.gz XXRSRUSXPCGOMT-UHFFFAOYSA-N 2 1 330.520 2.356 20 10 EECDMP CCN1CCC[N@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC001140301070 1314858935 /nfs/dbraw/zinc/85/89/35/1314858935.db2.gz XXRSRUSXPCGOMT-UHFFFAOYSA-N 2 1 330.520 2.356 20 10 EECDMP CCN1CCC[N@@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC001140301070 1314858938 /nfs/dbraw/zinc/85/89/38/1314858938.db2.gz XXRSRUSXPCGOMT-UHFFFAOYSA-N 2 1 330.520 2.356 20 10 EECDMP CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001140304577 1314862105 /nfs/dbraw/zinc/86/21/05/1314862105.db2.gz VNDXHYBVKPSMLE-SFHVURJKSA-N 2 1 345.487 2.214 20 10 EECDMP Oc1ccc(O)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001141159350 1315051467 /nfs/dbraw/zinc/05/14/67/1315051467.db2.gz AXTNXEWYESRQPZ-AEFFLSMTSA-N 2 1 339.439 2.447 20 10 EECDMP Oc1ccc(O)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001141159350 1315051469 /nfs/dbraw/zinc/05/14/69/1315051469.db2.gz AXTNXEWYESRQPZ-AEFFLSMTSA-N 2 1 339.439 2.447 20 10 EECDMP Oc1ccc(O)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001141159350 1315051472 /nfs/dbraw/zinc/05/14/72/1315051472.db2.gz AXTNXEWYESRQPZ-AEFFLSMTSA-N 2 1 339.439 2.447 20 10 EECDMP Oc1ccc(O)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)c1 ZINC001141159350 1315051474 /nfs/dbraw/zinc/05/14/74/1315051474.db2.gz AXTNXEWYESRQPZ-AEFFLSMTSA-N 2 1 339.439 2.447 20 10 EECDMP CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000841093074 1315473390 /nfs/dbraw/zinc/47/33/90/1315473390.db2.gz QJZSGUKQZZZFDF-HXUWFJFHSA-N 2 1 327.472 2.465 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843057048 1315832007 /nfs/dbraw/zinc/83/20/07/1315832007.db2.gz FRQLASCEMWXEFZ-VHSXEESVSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1O ZINC000843057048 1315832011 /nfs/dbraw/zinc/83/20/11/1315832011.db2.gz FRQLASCEMWXEFZ-VHSXEESVSA-N 2 1 329.238 2.332 20 10 EECDMP [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205570084 1323200551 /nfs/dbraw/zinc/20/05/51/1323200551.db2.gz FIWNNHUUCISXST-GOSISDBHSA-N 2 1 339.430 2.315 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205651418 1323229825 /nfs/dbraw/zinc/22/98/25/1323229825.db2.gz DZJDRJCUYNNTRN-IAGOWNOFSA-N 3 1 348.510 2.384 20 10 EECDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205651418 1323229835 /nfs/dbraw/zinc/22/98/35/1323229835.db2.gz DZJDRJCUYNNTRN-IAGOWNOFSA-N 2 1 348.510 2.384 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205651418 1323229842 /nfs/dbraw/zinc/22/98/42/1323229842.db2.gz DZJDRJCUYNNTRN-IAGOWNOFSA-N 2 1 348.510 2.384 20 10 EECDMP Cc1cc(O)c(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1Br ZINC001205725702 1323270213 /nfs/dbraw/zinc/27/02/13/1323270213.db2.gz KIWGIUQKLPJENL-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)cc1Br ZINC001205725702 1323270221 /nfs/dbraw/zinc/27/02/21/1323270221.db2.gz KIWGIUQKLPJENL-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205726491 1323271141 /nfs/dbraw/zinc/27/11/41/1323271141.db2.gz SSMSNCPXOFWTAT-OAHLLOKOSA-N 2 1 348.365 2.009 20 10 EECDMP C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116512634 1371728655 /nfs/dbraw/zinc/72/86/55/1371728655.db2.gz VTGFUOUSRPWEGP-RDJZCZTQSA-N 2 1 335.467 2.170 20 10 EECDMP C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116512634 1371728660 /nfs/dbraw/zinc/72/86/60/1371728660.db2.gz VTGFUOUSRPWEGP-RDJZCZTQSA-N 2 1 335.467 2.170 20 10 EECDMP COc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741318 783348916 /nfs/dbraw/zinc/34/89/16/783348916.db2.gz MTSQSHUOGCBRRD-INIZCTEOSA-N 2 1 333.476 2.001 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2F)CC1 ZINC000817902291 785055388 /nfs/dbraw/zinc/05/53/88/785055388.db2.gz MKIQPJLDXNJAFH-QFBILLFUSA-N 2 1 348.510 2.445 20 10 EECDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(OC)c1O ZINC000289487023 464081209 /nfs/dbraw/zinc/08/12/09/464081209.db2.gz RFICQCKERREIOZ-KRWDZBQOSA-N 2 1 335.492 2.249 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000754740191 577811828 /nfs/dbraw/zinc/81/18/28/577811828.db2.gz KJQRRPIUCDEIFX-IXDOHACOSA-N 2 1 334.460 2.393 20 10 EECDMP CN(C)c1ccc([C@@H]([NH3+])CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000841040923 692117421 /nfs/dbraw/zinc/11/74/21/692117421.db2.gz CQOQVLVWQGOULF-INIZCTEOSA-N 2 1 333.505 2.060 20 10 EECDMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876964240 1199831046 /nfs/dbraw/zinc/83/10/46/1199831046.db2.gz VYBCPYFJOVGFFG-GOSISDBHSA-N 2 1 331.504 2.469 20 10 EECDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001132738554 1199967335 /nfs/dbraw/zinc/96/73/35/1199967335.db2.gz ICMWAHZEDMPUOD-SFHVURJKSA-N 2 1 347.503 2.331 20 10 EECDMP CC(C)[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nncn1C ZINC000796455561 1218281245 /nfs/dbraw/zinc/28/12/45/1218281245.db2.gz YNXOYLIMMYSYHP-GOSISDBHSA-N 2 1 342.491 2.054 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)cc1C ZINC001018972797 1228594972 /nfs/dbraw/zinc/59/49/72/1228594972.db2.gz PPIXGUOKFKEAJI-KRWDZBQOSA-N 2 1 345.487 2.178 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)cc1C ZINC001135102847 1278140695 /nfs/dbraw/zinc/14/06/95/1278140695.db2.gz PBMIKYMGXNQEEG-MSOLQXFVSA-N 2 1 345.487 2.226 20 10 EECDMP [NH3+]CC1(F)CC[NH+](Cc2cc(O)c(Br)cc2O)CC1 ZINC001222548213 1299675070 /nfs/dbraw/zinc/67/50/70/1299675070.db2.gz ANONTDZUNHTOIG-UHFFFAOYSA-N 2 1 333.201 2.123 20 10 EECDMP COc1cc(N(C)C)ccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001231847675 1303929482 /nfs/dbraw/zinc/92/94/82/1303929482.db2.gz BILJBDHFOHEADZ-UHFFFAOYSA-N 2 1 326.444 2.478 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235433084 1305226996 /nfs/dbraw/zinc/22/69/96/1305226996.db2.gz ZKPNIKJJMVXVTE-WOJBJXKFSA-N 3 1 342.531 2.308 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CO)CC3)c(F)c2)CC1 ZINC001236930923 1305733856 /nfs/dbraw/zinc/73/38/56/1305733856.db2.gz HCORDBHTNUFAAC-MRXNPFEDSA-N 2 1 335.467 2.172 20 10 EECDMP Cc1ncc2n1CCN(Cc1ccc(N3CCN(C)CC3)cc1F)C2 ZINC001236935732 1305737064 /nfs/dbraw/zinc/73/70/64/1305737064.db2.gz LMTQHXREMIIHQC-UHFFFAOYSA-N 2 1 343.450 2.098 20 10 EECDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138339437 1314602507 /nfs/dbraw/zinc/60/25/07/1314602507.db2.gz FVEVWONSPQJHOO-CALCHBBNSA-N 2 1 327.472 2.084 20 10 EECDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138339437 1314602510 /nfs/dbraw/zinc/60/25/10/1314602510.db2.gz FVEVWONSPQJHOO-CALCHBBNSA-N 2 1 327.472 2.084 20 10 EECDMP C[NH+]1C[C@@H]2C[N@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138339437 1314602513 /nfs/dbraw/zinc/60/25/13/1314602513.db2.gz FVEVWONSPQJHOO-CALCHBBNSA-N 2 1 327.472 2.084 20 10 EECDMP CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC001140304576 1314862376 /nfs/dbraw/zinc/86/23/76/1314862376.db2.gz VNDXHYBVKPSMLE-GOSISDBHSA-N 2 1 345.487 2.214 20 10 EECDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]21 ZINC000843060240 1315832426 /nfs/dbraw/zinc/83/24/26/1315832426.db2.gz YYHMFBWVUUSZQV-JFIYKMOQSA-N 2 1 333.451 2.222 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205558870 1323194927 /nfs/dbraw/zinc/19/49/27/1323194927.db2.gz KQXONKJFVOTMNB-HXUWFJFHSA-N 3 1 348.510 2.481 20 10 EECDMP CN1CCN(c2ccc(C[NH2+]C3CCC([NH+](C)C)CC3)cc2)CC1 ZINC000817415988 784767741 /nfs/dbraw/zinc/76/77/41/784767741.db2.gz FXDXZPGAQGCWAP-UHFFFAOYSA-N 2 1 330.520 2.401 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cc1C ZINC001127256598 794421887 /nfs/dbraw/zinc/42/18/87/794421887.db2.gz PCNVBJKCQFFPNK-MSOLQXFVSA-N 2 1 345.487 2.084 20 10 EECDMP COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)CC1CC[NH+](C)CC1 ZINC000891992478 677880635 /nfs/dbraw/zinc/88/06/35/677880635.db2.gz MVAYIPPBAIVINJ-UHFFFAOYSA-N 2 1 340.851 2.362 20 10 EECDMP COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)CC1CC[NH+](C)CC1 ZINC000891992478 677880638 /nfs/dbraw/zinc/88/06/38/677880638.db2.gz MVAYIPPBAIVINJ-UHFFFAOYSA-N 2 1 340.851 2.362 20 10 EECDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000105443514 1286390202 /nfs/dbraw/zinc/39/02/02/1286390202.db2.gz YZZHFTVTNIWUEL-MRXNPFEDSA-N 2 1 328.460 2.454 20 10 EECDMP COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000781528310 1303813859 /nfs/dbraw/zinc/81/38/59/1303813859.db2.gz VJBMQQINGCZXFK-IBGZPJMESA-N 2 1 345.487 2.356 20 10 EECDMP Nc1cccc2c1CC[N@@H+](Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001236365467 1305569781 /nfs/dbraw/zinc/56/97/81/1305569781.db2.gz KUQCAFLVKAQCKH-UHFFFAOYSA-N 2 1 325.412 2.015 20 10 EECDMP CN1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C2(CCCC2)C1 ZINC001236842889 1305697621 /nfs/dbraw/zinc/69/76/21/1305697621.db2.gz BYMRAPTYGVIADC-UHFFFAOYSA-N 2 1 328.504 2.156 20 10 EECDMP C[N@@H+]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C2(CCCC2)C1 ZINC001236842889 1305697625 /nfs/dbraw/zinc/69/76/25/1305697625.db2.gz BYMRAPTYGVIADC-UHFFFAOYSA-N 2 1 328.504 2.156 20 10 EECDMP C[N@H+]1CCN(Cc2ccc(N3CC[NH2+]CC3)cc2)C2(CCCC2)C1 ZINC001236842889 1305697629 /nfs/dbraw/zinc/69/76/29/1305697629.db2.gz BYMRAPTYGVIADC-UHFFFAOYSA-N 2 1 328.504 2.156 20 10 EECDMP CC[N@H+]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236933073 1305735631 /nfs/dbraw/zinc/73/56/31/1305735631.db2.gz UNMMKBWMLYICOI-UHFFFAOYSA-N 2 1 334.483 2.105 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](F)(CO)CC3)cc2)CC1 ZINC001139408217 1314740033 /nfs/dbraw/zinc/74/00/33/1314740033.db2.gz JPUMQZFQELCBKN-LJQANCHMSA-N 2 1 335.467 2.125 20 10 EECDMP Oc1ccc(F)cc1C[N@@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001140062652 1314806537 /nfs/dbraw/zinc/80/65/37/1314806537.db2.gz CWCIFBMPIZIZSP-UHFFFAOYSA-N 2 1 344.434 2.382 20 10 EECDMP COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841006037 1315453199 /nfs/dbraw/zinc/45/31/99/1315453199.db2.gz GVUGLMACSUHTLQ-CHWSQXEVSA-N 2 1 340.851 2.409 20 10 EECDMP COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841006037 1315453200 /nfs/dbraw/zinc/45/32/00/1315453200.db2.gz GVUGLMACSUHTLQ-CHWSQXEVSA-N 2 1 340.851 2.409 20 10 EECDMP Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C[NH2+]C1CC[NH2+]CC1 ZINC001157435537 1318639733 /nfs/dbraw/zinc/63/97/33/1318639733.db2.gz TVVPHUMQHVWDAC-IBGZPJMESA-N 2 1 345.487 2.090 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC001308204582 1331572902 /nfs/dbraw/zinc/57/29/02/1331572902.db2.gz ACRRMGMCQRUGOM-UXHICEINSA-N 2 1 328.504 2.155 20 10 EECDMP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)O1 ZINC001325291543 1333858815 /nfs/dbraw/zinc/85/88/15/1333858815.db2.gz UDNIZTSDEHHVEU-VYDXJSESSA-N 2 1 335.467 2.481 20 10 EECDMP C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703915 783320461 /nfs/dbraw/zinc/32/04/61/783320461.db2.gz RTDMMRLQKLIOIH-RXVVDRJESA-N 2 1 342.531 2.497 20 10 EECDMP C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703915 783320468 /nfs/dbraw/zinc/32/04/68/783320468.db2.gz RTDMMRLQKLIOIH-RXVVDRJESA-N 2 1 342.531 2.497 20 10 EECDMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1C ZINC000997299601 789592639 /nfs/dbraw/zinc/59/26/39/789592639.db2.gz PXTNYQBMHSPXCV-KRWDZBQOSA-N 2 1 345.487 2.036 20 10 EECDMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1O ZINC000775503762 577438632 /nfs/dbraw/zinc/43/86/32/577438632.db2.gz NPAITWSBUSFVEG-QGZVFWFLSA-N 2 1 333.476 2.376 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000754740187 577811824 /nfs/dbraw/zinc/81/18/24/577811824.db2.gz KJQRRPIUCDEIFX-BRWVUGGUSA-N 2 1 334.460 2.393 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC000983322931 682276030 /nfs/dbraw/zinc/27/60/30/682276030.db2.gz NYOCGJBRHMUUBP-BZSNNMDCSA-N 2 1 345.487 2.082 20 10 EECDMP CN(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NCC[NH+](C)C)C3)c(O)c1 ZINC001275585096 1205430902 /nfs/dbraw/zinc/43/09/02/1205430902.db2.gz NXECEEICVWNSRV-JLYLLQBASA-N 2 1 346.519 2.105 20 10 EECDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)cc1O ZINC001275585096 1205430903 /nfs/dbraw/zinc/43/09/03/1205430903.db2.gz NXECEEICVWNSRV-JLYLLQBASA-N 2 1 346.519 2.105 20 10 EECDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)C)cc1O ZINC001275585096 1205430905 /nfs/dbraw/zinc/43/09/05/1205430905.db2.gz NXECEEICVWNSRV-JLYLLQBASA-N 2 1 346.519 2.105 20 10 EECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903768647 1241882079 /nfs/dbraw/zinc/88/20/79/1241882079.db2.gz OHUPJWOKRIZUCK-IBGZPJMESA-N 2 1 347.503 2.222 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1C ZINC001134767024 1278013570 /nfs/dbraw/zinc/01/35/70/1278013570.db2.gz PUVGYRGPIXILDN-SFHVURJKSA-N 2 1 347.503 2.472 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@]12CCC[NH2+]CC2 ZINC001222314854 1299474069 /nfs/dbraw/zinc/47/40/69/1299474069.db2.gz JMROZPRTUDRZLD-FQEVSTJZSA-N 3 1 328.504 2.204 20 10 EECDMP COc1ccc(Br)c(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1O ZINC001231556732 1303844125 /nfs/dbraw/zinc/84/41/25/1303844125.db2.gz MNHXDZBFAIJTRE-PHIMTYICSA-N 2 1 341.249 2.157 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235433073 1305227019 /nfs/dbraw/zinc/22/70/19/1305227019.db2.gz ZKPNIKJJMVXVTE-UXHICEINSA-N 3 1 342.531 2.308 20 10 EECDMP COc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)cc(C[NH+](C)C)c1O ZINC001139259136 1314723055 /nfs/dbraw/zinc/72/30/55/1314723055.db2.gz JNJZGDIRFOLZDS-CQSZACIVSA-N 2 1 340.464 2.492 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)cc2)CC1 ZINC001139408994 1314741018 /nfs/dbraw/zinc/74/10/18/1314741018.db2.gz RRAMHMRUYQIADJ-AZUAARDMSA-N 2 1 329.488 2.439 20 10 EECDMP COc1cccc(C[N@@H+]2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)c1O ZINC001203590500 1321918504 /nfs/dbraw/zinc/91/85/04/1321918504.db2.gz ZWBVIJMMPJGKLH-HDICACEKSA-N 2 1 339.439 2.360 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cc2F)CC1 ZINC001261506377 1322116336 /nfs/dbraw/zinc/11/63/36/1322116336.db2.gz QGRCDACEEQYJQR-PXNSSMCTSA-N 2 1 346.494 2.138 20 10 EECDMP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205110640 1322287682 /nfs/dbraw/zinc/28/76/82/1322287682.db2.gz XMZIKJUUZGRAPS-JTQLQIEISA-N 2 1 329.238 2.477 20 10 EECDMP COc1ccc(Br)c(C[N@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205110640 1322287690 /nfs/dbraw/zinc/28/76/90/1322287690.db2.gz XMZIKJUUZGRAPS-JTQLQIEISA-N 2 1 329.238 2.477 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618025 1323217266 /nfs/dbraw/zinc/21/72/66/1323217266.db2.gz QRKUNJHHEYKLCO-PKOBYXMFSA-N 3 1 330.520 2.245 20 10 EECDMP C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618025 1323217272 /nfs/dbraw/zinc/21/72/72/1323217272.db2.gz QRKUNJHHEYKLCO-PKOBYXMFSA-N 2 1 330.520 2.245 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205618025 1323217281 /nfs/dbraw/zinc/21/72/81/1323217281.db2.gz QRKUNJHHEYKLCO-PKOBYXMFSA-N 2 1 330.520 2.245 20 10 EECDMP C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322446784 1333264522 /nfs/dbraw/zinc/26/45/22/1333264522.db2.gz RHNFALVWMUZYQB-RDJZCZTQSA-N 2 1 335.467 2.340 20 10 EECDMP Cn1cc(C(C)(C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)cn1 ZINC001323475246 1333471514 /nfs/dbraw/zinc/47/15/14/1333471514.db2.gz IHGXIIUMXBIPOD-UHFFFAOYSA-N 2 1 345.466 2.336 20 10 EECDMP C[C@H](CO)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001326475671 1334101140 /nfs/dbraw/zinc/10/11/40/1334101140.db2.gz OERCJLFMFXVKBE-MRXNPFEDSA-N 2 1 349.494 2.418 20 10 EECDMP CN1CCN(c2ccc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)cc2F)CC1 ZINC001326796266 1334160680 /nfs/dbraw/zinc/16/06/80/1334160680.db2.gz FKUZRYBBMYJHIN-QGZVFWFLSA-N 2 1 348.510 2.399 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cc2F)CC1 ZINC001326796266 1334160685 /nfs/dbraw/zinc/16/06/85/1334160685.db2.gz FKUZRYBBMYJHIN-QGZVFWFLSA-N 3 1 348.510 2.399 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)cc2F)CC1 ZINC001326796266 1334160688 /nfs/dbraw/zinc/16/06/88/1334160688.db2.gz FKUZRYBBMYJHIN-QGZVFWFLSA-N 3 1 348.510 2.399 20 10 EECDMP C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332339865 1335805892 /nfs/dbraw/zinc/80/58/92/1335805892.db2.gz RBOQYIQWTVVXIO-MAUKXSAKSA-N 2 1 334.483 2.279 20 10 EECDMP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001755236118 1407244397 /nfs/dbraw/zinc/24/43/97/1407244397.db2.gz DNYUCVQXIQPBCC-HZPDHXFCSA-N 2 1 347.503 2.471 20 10 EECDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001755663769 1407713809 /nfs/dbraw/zinc/71/38/09/1407713809.db2.gz OCYVASZUOFVVMR-SJLPKXTDSA-N 2 1 347.503 2.424 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC001086047380 802012027 /nfs/dbraw/zinc/01/20/27/802012027.db2.gz OKLREMDWATWNSW-KSZLIROESA-N 2 1 345.487 2.082 20 10 EECDMP COc1cccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1O ZINC000092665674 533481034 /nfs/dbraw/zinc/48/10/34/533481034.db2.gz RLSCXRNMJPOARY-IAGOWNOFSA-N 2 1 347.503 2.391 20 10 EECDMP COc1ccc(O)c(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000179910065 464208388 /nfs/dbraw/zinc/20/83/88/464208388.db2.gz KFGBTSYEMJSKFK-IAGOWNOFSA-N 2 1 347.503 2.391 20 10 EECDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)C1 ZINC000738214204 578004116 /nfs/dbraw/zinc/00/41/16/578004116.db2.gz OUHODVABIJFRSQ-QGZVFWFLSA-N 2 1 340.471 2.152 20 10 EECDMP COc1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000765791508 577507308 /nfs/dbraw/zinc/50/73/08/577507308.db2.gz LUJUQRVVTFMNDH-AZUAARDMSA-N 2 1 345.487 2.117 20 10 EECDMP COc1ccc(N2CCC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000765791508 577507309 /nfs/dbraw/zinc/50/73/09/577507309.db2.gz LUJUQRVVTFMNDH-AZUAARDMSA-N 2 1 345.487 2.117 20 10 EECDMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(F)ccc1O ZINC000756565321 577846966 /nfs/dbraw/zinc/84/69/66/577846966.db2.gz ZARLAECPIOLKMC-ZDUSSCGKSA-N 2 1 337.439 2.125 20 10 EECDMP Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c(O)c1 ZINC001272767220 1193488588 /nfs/dbraw/zinc/48/85/88/1193488588.db2.gz YPSAPNWNEHYHKO-FQEVSTJZSA-N 2 1 345.487 2.219 20 10 EECDMP COc1ccc(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c(O)c1 ZINC001275275526 1205295327 /nfs/dbraw/zinc/29/53/27/1205295327.db2.gz KFNWEVNWXCWAEZ-UXHICEINSA-N 2 1 347.503 2.487 20 10 EECDMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001275276076 1205295808 /nfs/dbraw/zinc/29/58/08/1205295808.db2.gz URJLFSRKDOTUCS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001275276076 1205295809 /nfs/dbraw/zinc/29/58/09/1205295809.db2.gz URJLFSRKDOTUCS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001275276076 1205295811 /nfs/dbraw/zinc/29/58/11/1205295811.db2.gz URJLFSRKDOTUCS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1ccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(O)c1 ZINC001275276076 1205295813 /nfs/dbraw/zinc/29/58/13/1205295813.db2.gz URJLFSRKDOTUCS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(O)c1 ZINC001275276076 1205295815 /nfs/dbraw/zinc/29/58/15/1205295815.db2.gz URJLFSRKDOTUCS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000779052222 1208480321 /nfs/dbraw/zinc/48/03/21/1208480321.db2.gz ONATXZJBYYSVNJ-NHYWBVRUSA-N 2 1 343.265 2.180 20 10 EECDMP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000779052222 1208480319 /nfs/dbraw/zinc/48/03/19/1208480319.db2.gz ONATXZJBYYSVNJ-NHYWBVRUSA-N 2 1 343.265 2.180 20 10 EECDMP CN1CCN(c2ccc(C[NH2+]CC3(C)CC[NH+](C)CC3)cc2)CC1 ZINC000779985637 1211958377 /nfs/dbraw/zinc/95/83/77/1211958377.db2.gz HCHBUYNTIQMYLS-UHFFFAOYSA-N 2 1 330.520 2.260 20 10 EECDMP Cc1cc(C)c(C[N@@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276364642 1216755049 /nfs/dbraw/zinc/75/50/49/1216755049.db2.gz AYGZVJOAHJAOIB-UHFFFAOYSA-N 2 1 331.504 2.468 20 10 EECDMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cccc(-c2ccccc2)c1O ZINC001236080430 1305496545 /nfs/dbraw/zinc/49/65/45/1305496545.db2.gz AHJPXGUVPPFQBV-UHFFFAOYSA-N 2 1 325.456 2.396 20 10 EECDMP C[NH+](C)CCN(Cc1cc(F)cc(Cl)c1O)[C@@H]1CCC[NH2+]C1 ZINC001236932360 1305735375 /nfs/dbraw/zinc/73/53/75/1305735375.db2.gz MDOCQDUPDMTUAB-CQSZACIVSA-N 2 1 329.847 2.300 20 10 EECDMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]2C1 ZINC001237057863 1305780865 /nfs/dbraw/zinc/78/08/65/1305780865.db2.gz GCMVWPYLNKQOIJ-BETUJISGSA-N 2 1 330.350 2.327 20 10 EECDMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3O)C[C@@H]2C1 ZINC001237057863 1305780873 /nfs/dbraw/zinc/78/08/73/1305780873.db2.gz GCMVWPYLNKQOIJ-BETUJISGSA-N 2 1 330.350 2.327 20 10 EECDMP COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412061 1314741629 /nfs/dbraw/zinc/74/16/29/1314741629.db2.gz BXTRKIGKYHLTMM-WMZOPIPTSA-N 2 1 345.487 2.069 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC(=O)[C@@H](F)CC3)cc2)CC1 ZINC001140302436 1314861724 /nfs/dbraw/zinc/86/17/24/1314861724.db2.gz RFOBECREKRDMNK-SFHVURJKSA-N 2 1 333.451 2.332 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC(=O)[C@@H](F)CC3)cc2)CC1 ZINC001140302436 1314861732 /nfs/dbraw/zinc/86/17/32/1314861732.db2.gz RFOBECREKRDMNK-SFHVURJKSA-N 2 1 333.451 2.332 20 10 EECDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC001203460621 1321885088 /nfs/dbraw/zinc/88/50/88/1321885088.db2.gz SKDUQYGJNAISAV-UHFFFAOYSA-N 2 1 347.503 2.426 20 10 EECDMP COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)c2c1 ZINC001205726699 1323270548 /nfs/dbraw/zinc/27/05/48/1323270548.db2.gz WVMNAXKNAQSSSP-IBGZPJMESA-N 2 1 330.428 2.230 20 10 EECDMP CC(C)(C)c1cc(O)c(C[NH+]2CCN(CC[NH3+])CC2)cc1Cl ZINC001210029630 1325133839 /nfs/dbraw/zinc/13/38/39/1325133839.db2.gz WFJAKCRFIWOIGM-UHFFFAOYSA-N 2 1 325.884 2.419 20 10 EECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCOCC1 ZINC001308326487 1331583754 /nfs/dbraw/zinc/58/37/54/1331583754.db2.gz HKQAQNULVIBIDD-HNNXBMFYSA-N 2 1 335.467 2.482 20 10 EECDMP CC(C)[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001323286671 1333432238 /nfs/dbraw/zinc/43/22/38/1333432238.db2.gz YXFVSAAYGRDWOR-UHFFFAOYSA-N 2 1 334.483 2.104 20 10 EECDMP CO[C@H]([C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001327952399 1334369196 /nfs/dbraw/zinc/36/91/96/1334369196.db2.gz RCQXKMKMKJSYIY-AUUYWEPGSA-N 2 1 335.467 2.481 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[C@H]([NH+]4CCCC4)C3)cc2F)CC1 ZINC001337026128 1336632695 /nfs/dbraw/zinc/63/26/95/1336632695.db2.gz MVCJNGYEKIWMBM-SFHVURJKSA-N 2 1 346.494 2.248 20 10 EECDMP COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337042840 1336635220 /nfs/dbraw/zinc/63/52/20/1336635220.db2.gz SXYSISGIGCDSCO-INIZCTEOSA-N 2 1 349.450 2.105 20 10 EECDMP COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337042840 1336635223 /nfs/dbraw/zinc/63/52/23/1336635223.db2.gz SXYSISGIGCDSCO-INIZCTEOSA-N 2 1 349.450 2.105 20 10 EECDMP c1csc(SCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000848527406 1373156615 /nfs/dbraw/zinc/15/66/15/1373156615.db2.gz AYXPSLVWDRHGRZ-CQSZACIVSA-N 2 1 327.519 2.468 20 10 EECDMP CC[C@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817889217 785024428 /nfs/dbraw/zinc/02/44/28/785024428.db2.gz NZWUIXLBOGRSEC-NEWSRXKRSA-N 2 1 344.503 2.009 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)cc1C ZINC000768466310 577556550 /nfs/dbraw/zinc/55/65/50/577556550.db2.gz YMILOJYCPOTOTA-AEFFLSMTSA-N 2 1 347.503 2.167 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC001022104097 676656105 /nfs/dbraw/zinc/65/61/05/676656105.db2.gz VFBOGRRJWQFDFL-NRSFXHEJSA-N 2 1 345.487 2.081 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420829 694394059 /nfs/dbraw/zinc/39/40/59/694394059.db2.gz HRQCKOMUTPZZNM-CMPLNLGQSA-N 2 1 341.249 2.205 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1O ZINC000904420829 694394063 /nfs/dbraw/zinc/39/40/63/694394063.db2.gz HRQCKOMUTPZZNM-CMPLNLGQSA-N 2 1 341.249 2.205 20 10 EECDMP C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)CC1CC[NH+](C)CC1 ZINC000876690033 1199724454 /nfs/dbraw/zinc/72/44/54/1199724454.db2.gz FOBLJVDZYIGILJ-UHFFFAOYSA-N 2 1 331.504 2.421 20 10 EECDMP C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1CCC[NH3+] ZINC000852760353 1292189464 /nfs/dbraw/zinc/18/94/64/1292189464.db2.gz ZHKAKTUNKCGPRM-VQIMIIECSA-N 2 1 346.519 2.208 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@H]4C3)c(F)c2)CC1 ZINC001236943999 1305740360 /nfs/dbraw/zinc/74/03/60/1305740360.db2.gz YHKWTKPMTXXGNI-QFBILLFUSA-N 2 1 333.451 2.188 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@]1(C)CO ZINC001118667685 1308918032 /nfs/dbraw/zinc/91/80/32/1308918032.db2.gz FFIVEMNYKYFHSU-BEFAXECRSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@]1(C)CO ZINC001118667685 1308918034 /nfs/dbraw/zinc/91/80/34/1308918034.db2.gz FFIVEMNYKYFHSU-BEFAXECRSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@]1(C)CO ZINC001118667685 1308918038 /nfs/dbraw/zinc/91/80/38/1308918038.db2.gz FFIVEMNYKYFHSU-BEFAXECRSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1CO ZINC001118758749 1308939218 /nfs/dbraw/zinc/93/92/18/1308939218.db2.gz ZNXGHQNKSNCIHF-DOTOQJQBSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1CO ZINC001118758749 1308939219 /nfs/dbraw/zinc/93/92/19/1308939219.db2.gz ZNXGHQNKSNCIHF-DOTOQJQBSA-N 2 1 335.467 2.028 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253330 1314721440 /nfs/dbraw/zinc/72/14/40/1314721440.db2.gz RBVOCWXWZCMXDH-DOTOQJQBSA-N 2 1 334.460 2.463 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]3(C)C(=O)OC)cc2)CC1 ZINC001140302100 1314860560 /nfs/dbraw/zinc/86/05/60/1314860560.db2.gz JTVZYGYMZGCTQQ-HXUWFJFHSA-N 2 1 345.487 2.356 20 10 EECDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCN(C)C1 ZINC000843421379 1315911917 /nfs/dbraw/zinc/91/19/17/1315911917.db2.gz CRMBMNLTKMHRDC-HXUWFJFHSA-N 2 1 330.520 2.355 20 10 EECDMP [NH3+]C[C@@]1(O)CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205230744 1322323279 /nfs/dbraw/zinc/32/32/79/1322323279.db2.gz UQOSDAJCOPVUAD-HXUWFJFHSA-N 2 1 329.488 2.061 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003700 1323367274 /nfs/dbraw/zinc/36/72/74/1323367274.db2.gz LKMQFLVPYLWBAT-SJLPKXTDSA-N 2 1 331.504 2.455 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCOCC3CC3)cc2F)CC1 ZINC001308187124 1331571668 /nfs/dbraw/zinc/57/16/68/1331571668.db2.gz SKHXVVFARXVUHE-UHFFFAOYSA-N 2 1 335.467 2.484 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC([C@@H]4CCOC4)C3)cc2F)CC1 ZINC001321042475 1333004605 /nfs/dbraw/zinc/00/46/05/1333004605.db2.gz IGZNSFQSZKWRII-MRXNPFEDSA-N 2 1 333.451 2.046 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCc3ccc(N)cc3)cc2F)CC1 ZINC001325609891 1333922709 /nfs/dbraw/zinc/92/27/09/1333922709.db2.gz BGTFXBIPZQIEJY-UHFFFAOYSA-N 2 1 342.462 2.492 20 10 EECDMP C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332339868 1335805905 /nfs/dbraw/zinc/80/59/05/1335805905.db2.gz RBOQYIQWTVVXIO-QAPCUYQASA-N 2 1 334.483 2.279 20 10 EECDMP C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332339872 1335806034 /nfs/dbraw/zinc/80/60/34/1335806034.db2.gz RBOQYIQWTVVXIO-YJBOKZPZSA-N 2 1 334.483 2.279 20 10 EECDMP COc1cc(C)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC001333704892 1336110629 /nfs/dbraw/zinc/11/06/29/1336110629.db2.gz GAAXBAZKTSLMBS-KRWDZBQOSA-N 2 1 334.460 2.442 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001755693586 1407738608 /nfs/dbraw/zinc/73/86/08/1407738608.db2.gz QOEALVGHJZIWDB-FUHWJXTLSA-N 2 1 347.503 2.423 20 10 EECDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(F)cc1O ZINC000285589523 464619533 /nfs/dbraw/zinc/61/95/33/464619533.db2.gz HTXKHLKHUBELFW-OHRKKDJYSA-N 2 1 349.450 2.266 20 10 EECDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)C1 ZINC000768446786 577555918 /nfs/dbraw/zinc/55/59/18/577555918.db2.gz ORQIERQXTMGGIE-HXUWFJFHSA-N 2 1 343.515 2.483 20 10 EECDMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)c1 ZINC000770353273 577594408 /nfs/dbraw/zinc/59/44/08/577594408.db2.gz ZDEJSIPKJCYZDC-KVSKMBFKSA-N 2 1 334.460 2.474 20 10 EECDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251030 676247228 /nfs/dbraw/zinc/24/72/28/676247228.db2.gz BYGNJYJLVYZBSY-JTDSTZFVSA-N 2 1 346.519 2.344 20 10 EECDMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C)cc(OC)c2O)CC1 ZINC000894174582 682137272 /nfs/dbraw/zinc/13/72/72/682137272.db2.gz VRKJUTCDGAJNQZ-UHFFFAOYSA-N 2 1 335.492 2.217 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C)cc1C ZINC001133908617 1199159860 /nfs/dbraw/zinc/15/98/60/1199159860.db2.gz ZIQRHTBGBKSOBE-UHFFFAOYSA-N 2 1 335.492 2.187 20 10 EECDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877524978 1199956175 /nfs/dbraw/zinc/95/61/75/1199956175.db2.gz MSOYJUQJAMVTJV-GOSISDBHSA-N 2 1 331.504 2.468 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@H]4[C@@H]3CC[N@H+]4C)cc2)CC1 ZINC001275194883 1205278604 /nfs/dbraw/zinc/27/86/04/1205278604.db2.gz TUYODVDXOZWBIZ-PMACEKPBSA-N 2 1 328.504 2.107 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]4[C@@H]3CCN4C)cc2)CC1 ZINC001275194883 1205278606 /nfs/dbraw/zinc/27/86/06/1205278606.db2.gz TUYODVDXOZWBIZ-PMACEKPBSA-N 2 1 328.504 2.107 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[C@@H]3CCN4C)cc2)CC1 ZINC001275194883 1205278607 /nfs/dbraw/zinc/27/86/07/1205278607.db2.gz TUYODVDXOZWBIZ-PMACEKPBSA-N 2 1 328.504 2.107 20 10 EECDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001275821544 1205550911 /nfs/dbraw/zinc/55/09/11/1205550911.db2.gz SXKDRGKBEJNROG-HXUWFJFHSA-N 2 1 347.503 2.337 20 10 EECDMP C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001275959977 1205603755 /nfs/dbraw/zinc/60/37/55/1205603755.db2.gz MCZZFFBWICTJJW-SFTDATJTSA-N 2 1 342.531 2.497 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272340 1299449934 /nfs/dbraw/zinc/44/99/34/1299449934.db2.gz RMGFAAKQIKMTJX-HXUWFJFHSA-N 3 1 328.504 2.062 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222272340 1299449938 /nfs/dbraw/zinc/44/99/38/1299449938.db2.gz RMGFAAKQIKMTJX-HXUWFJFHSA-N 2 1 328.504 2.062 20 10 EECDMP CC(C)(C)c1cc(O)c(CN2CC[NH2+]C[C@]23CC[NH2+]C3)cc1Cl ZINC001234989640 1305076971 /nfs/dbraw/zinc/07/69/71/1305076971.db2.gz AZYSXTVDIRAPKO-GOSISDBHSA-N 2 1 337.895 2.480 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)c(OC)c1 ZINC001235039209 1305094055 /nfs/dbraw/zinc/09/40/55/1305094055.db2.gz VRQOKRVJUUWOOM-YLJYHZDGSA-N 2 1 347.503 2.352 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256108 1314722248 /nfs/dbraw/zinc/72/22/48/1314722248.db2.gz UCWPKCIWVKXMEA-MAUKXSAKSA-N 2 1 334.460 2.463 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)[C@H](C)C3)cc2)CC1 ZINC001140302507 1314861352 /nfs/dbraw/zinc/86/13/52/1314861352.db2.gz SOXIDFLKWNEFOH-XLIONFOSSA-N 2 1 331.504 2.421 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC([N@H+](C)C3CC3)CC2)c(O)c1 ZINC001249215262 1317024451 /nfs/dbraw/zinc/02/44/51/1317024451.db2.gz YMFLHRSQFLNAGE-UHFFFAOYSA-N 2 1 332.444 2.166 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC([N@@H+](C)C3CC3)CC2)c(O)c1 ZINC001249215262 1317024460 /nfs/dbraw/zinc/02/44/60/1317024460.db2.gz YMFLHRSQFLNAGE-UHFFFAOYSA-N 2 1 332.444 2.166 20 10 EECDMP COc1cccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1O ZINC001203602038 1321921110 /nfs/dbraw/zinc/92/11/10/1321921110.db2.gz XYOQSIAYYPHQHW-UHFFFAOYSA-N 2 1 334.460 2.476 20 10 EECDMP Oc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1O ZINC001203877121 1321980585 /nfs/dbraw/zinc/98/05/85/1321980585.db2.gz MGUGHQINSBYDTG-MSOLQXFVSA-N 2 1 339.439 2.447 20 10 EECDMP Oc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccncc4)C[C@H]3C2)cc1O ZINC001203877121 1321980589 /nfs/dbraw/zinc/98/05/89/1321980589.db2.gz MGUGHQINSBYDTG-MSOLQXFVSA-N 2 1 339.439 2.447 20 10 EECDMP Oc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccncc4)C[C@H]3C2)cc1O ZINC001203877121 1321980592 /nfs/dbraw/zinc/98/05/92/1321980592.db2.gz MGUGHQINSBYDTG-MSOLQXFVSA-N 2 1 339.439 2.447 20 10 EECDMP Oc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1O ZINC001203877121 1321980593 /nfs/dbraw/zinc/98/05/93/1321980593.db2.gz MGUGHQINSBYDTG-MSOLQXFVSA-N 2 1 339.439 2.447 20 10 EECDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203876826 1321980850 /nfs/dbraw/zinc/98/08/50/1321980850.db2.gz JXYBDTVIVXMZIZ-XLIONFOSSA-N 2 1 346.471 2.278 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205559455 1323196291 /nfs/dbraw/zinc/19/62/91/1323196291.db2.gz RDAWXMRWVYBIDP-IBGZPJMESA-N 3 1 334.483 2.091 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205559455 1323196300 /nfs/dbraw/zinc/19/63/00/1323196300.db2.gz RDAWXMRWVYBIDP-IBGZPJMESA-N 2 1 334.483 2.091 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205559455 1323196304 /nfs/dbraw/zinc/19/63/04/1323196304.db2.gz RDAWXMRWVYBIDP-IBGZPJMESA-N 2 1 334.483 2.091 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCCOC1 ZINC001319715773 1332749369 /nfs/dbraw/zinc/74/93/69/1332749369.db2.gz LGXVTMYOYQRUNL-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCCOC1 ZINC001319715773 1332749370 /nfs/dbraw/zinc/74/93/70/1332749370.db2.gz LGXVTMYOYQRUNL-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP CCOC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001325892187 1333986110 /nfs/dbraw/zinc/98/61/10/1333986110.db2.gz UPRQWNCZFSZDFG-LJQANCHMSA-N 2 1 345.487 2.356 20 10 EECDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(O)cccc1OC ZINC000809737373 783345500 /nfs/dbraw/zinc/34/55/00/783345500.db2.gz GRMDHRIZWKGAPC-MRXNPFEDSA-N 2 1 335.492 2.249 20 10 EECDMP COc1c(O)c(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000818431654 785253108 /nfs/dbraw/zinc/25/31/08/785253108.db2.gz QOUOYKCTLVJVMZ-GFCCVEGCSA-N 2 1 335.404 2.273 20 10 EECDMP COc1c(O)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000818431654 785253112 /nfs/dbraw/zinc/25/31/12/785253112.db2.gz QOUOYKCTLVJVMZ-GFCCVEGCSA-N 2 1 335.404 2.273 20 10 EECDMP CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371471058 465817268 /nfs/dbraw/zinc/81/72/68/465817268.db2.gz QMLJLFKFBOBBKZ-SOLBZPMBSA-N 2 1 334.460 2.474 20 10 EECDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(cc3O)CCCC4)CC2)C1 ZINC000768446780 577555894 /nfs/dbraw/zinc/55/58/94/577555894.db2.gz ORQIERQXTMGGIE-FQEVSTJZSA-N 2 1 343.515 2.483 20 10 EECDMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000702587172 1196020995 /nfs/dbraw/zinc/02/09/95/1196020995.db2.gz LUHCARNIEQKYEY-ZFWWWQNUSA-N 2 1 343.265 2.262 20 10 EECDMP CN(C)c1cc(F)c(C[NH2+]CCCCN2CC[NH+](C)CC2)cc1F ZINC000858096500 1294005329 /nfs/dbraw/zinc/00/53/29/1294005329.db2.gz FRBAMFWJAFTVOS-UHFFFAOYSA-N 2 1 340.462 2.148 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)c(F)c2)CC1 ZINC001236944003 1305740693 /nfs/dbraw/zinc/74/06/93/1305740693.db2.gz YHKWTKPMTXXGNI-VQIMIIECSA-N 2 1 333.451 2.188 20 10 EECDMP CCCC[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177135 1310253418 /nfs/dbraw/zinc/25/34/18/1310253418.db2.gz ZGRDACIGISWNCP-MOPGFXCFSA-N 2 1 330.520 2.497 20 10 EECDMP COc1cc(C[N@@H+](CCO)Cc2ccccc2)cc(C[NH+](C)C)c1O ZINC001139253071 1314721337 /nfs/dbraw/zinc/72/13/37/1314721337.db2.gz KOKMCOKRGMJPST-UHFFFAOYSA-N 2 1 344.455 2.457 20 10 EECDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4O)C[C@@H]3C2)cn1 ZINC001203551953 1321910382 /nfs/dbraw/zinc/91/03/82/1321910382.db2.gz UTCJLHALVKVSFS-AEFFLSMTSA-N 2 1 326.444 2.080 20 10 EECDMP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4O)C[C@@H]3C2)cn1 ZINC001203551953 1321910385 /nfs/dbraw/zinc/91/03/85/1321910385.db2.gz UTCJLHALVKVSFS-AEFFLSMTSA-N 2 1 326.444 2.080 20 10 EECDMP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccccc4O)C[C@@H]3C2)cn1 ZINC001203551953 1321910387 /nfs/dbraw/zinc/91/03/87/1321910387.db2.gz UTCJLHALVKVSFS-AEFFLSMTSA-N 2 1 326.444 2.080 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C(C)(C)CO)cc2F)CC1 ZINC001261206541 1322043976 /nfs/dbraw/zinc/04/39/76/1322043976.db2.gz SFULFKQIUCQMSM-IBGZPJMESA-N 2 1 349.494 2.464 20 10 EECDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681304 1323243050 /nfs/dbraw/zinc/24/30/50/1323243050.db2.gz HYNXLFFTZNLOGO-FQEVSTJZSA-N 2 1 329.488 2.061 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C[NH3+])CC[C@@H]3C)cc2)CC1 ZINC001206769074 1323586549 /nfs/dbraw/zinc/58/65/49/1323586549.db2.gz NGGRDCCOLQALNT-HKUYNNGSSA-N 3 1 330.520 2.388 20 10 EECDMP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001319950424 1332801037 /nfs/dbraw/zinc/80/10/37/1332801037.db2.gz CMSHUNATETYHPN-MSOLQXFVSA-N 2 1 335.467 2.481 20 10 EECDMP CC[C@@]1(O)CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001349632448 1337630951 /nfs/dbraw/zinc/63/09/51/1337630951.db2.gz JCCZVMHZWXEDMX-LJQANCHMSA-N 2 1 335.467 2.314 20 10 EECDMP CC[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001349632448 1337630953 /nfs/dbraw/zinc/63/09/53/1337630953.db2.gz JCCZVMHZWXEDMX-LJQANCHMSA-N 2 1 335.467 2.314 20 10 EECDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c1C ZINC000756551651 577846462 /nfs/dbraw/zinc/84/64/62/577846462.db2.gz WGTFNFMBFITLCR-CVEARBPZSA-N 2 1 333.476 2.247 20 10 EECDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891243757 676235284 /nfs/dbraw/zinc/23/52/84/676235284.db2.gz UVSMYBYHYAWZPB-OALUTQOASA-N 2 1 346.519 2.344 20 10 EECDMP CN(C)c1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000891246878 676240480 /nfs/dbraw/zinc/24/04/80/676240480.db2.gz QRAKYHKBFJRKOU-QZTJIDSGSA-N 2 1 346.519 2.344 20 10 EECDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cccc1F ZINC001273265136 1197885838 /nfs/dbraw/zinc/88/58/38/1197885838.db2.gz CSUQFTZUBJTNJD-IBGZPJMESA-N 2 1 349.450 2.050 20 10 EECDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cccc1F ZINC001273265136 1197885845 /nfs/dbraw/zinc/88/58/45/1197885845.db2.gz CSUQFTZUBJTNJD-IBGZPJMESA-N 2 1 349.450 2.050 20 10 EECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876946155 1199826492 /nfs/dbraw/zinc/82/64/92/1199826492.db2.gz HNUFFWBMZUIVHU-UHFFFAOYSA-N 2 1 328.460 2.333 20 10 EECDMP COc1ccc(O)c(C[NH2+][C@@]23CC[C@@]([NH2+]CCN(C)C)(C2)CCC3)c1 ZINC001275278185 1205296566 /nfs/dbraw/zinc/29/65/66/1205296566.db2.gz AQYWHOBXLKLVCT-UXHICEINSA-N 2 1 347.503 2.487 20 10 EECDMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858246152 1294060002 /nfs/dbraw/zinc/06/00/02/1294060002.db2.gz WFLKORWFLWMQQL-KRWDZBQOSA-N 2 1 335.467 2.484 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1cc2ccccc2cc1O ZINC001276813999 1298443121 /nfs/dbraw/zinc/44/31/21/1298443121.db2.gz WMISYTNFGDOEDH-KDURUIRLSA-N 2 1 325.456 2.366 20 10 EECDMP Cc1ccc(C)n1-c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC001236082380 1305498717 /nfs/dbraw/zinc/49/87/17/1305498717.db2.gz FCQPNJWJAGKART-UHFFFAOYSA-N 2 1 326.488 2.431 20 10 EECDMP CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237015403 1305768143 /nfs/dbraw/zinc/76/81/43/1305768143.db2.gz KBBFKKCTOWQHCM-GOSISDBHSA-N 2 1 345.487 2.261 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)[C@H](C)C3)cc2)CC1 ZINC001140302501 1314860980 /nfs/dbraw/zinc/86/09/80/1314860980.db2.gz SJSIJYIYIXGQLI-YLJYHZDGSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)cc2)CC1 ZINC001140303722 1314861390 /nfs/dbraw/zinc/86/13/90/1314861390.db2.gz RGZIOXQUCTXPKM-UXHICEINSA-N 3 1 342.531 2.212 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)cc2)CC1 ZINC001140303722 1314861395 /nfs/dbraw/zinc/86/13/95/1314861395.db2.gz RGZIOXQUCTXPKM-UXHICEINSA-N 2 1 342.531 2.212 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)cc2)CC1 ZINC001140303722 1314861400 /nfs/dbraw/zinc/86/14/00/1314861400.db2.gz RGZIOXQUCTXPKM-UXHICEINSA-N 2 1 342.531 2.212 20 10 EECDMP CC[NH+]1C[C@@H]2CN(Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@H]2C1 ZINC001140309656 1314864487 /nfs/dbraw/zinc/86/44/87/1314864487.db2.gz PCJHWAGSGGOCSG-WOJBJXKFSA-N 2 1 342.531 2.212 20 10 EECDMP COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841006038 1315452851 /nfs/dbraw/zinc/45/28/51/1315452851.db2.gz GVUGLMACSUHTLQ-OLZOCXBDSA-N 2 1 340.851 2.409 20 10 EECDMP COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841006038 1315452855 /nfs/dbraw/zinc/45/28/55/1315452855.db2.gz GVUGLMACSUHTLQ-OLZOCXBDSA-N 2 1 340.851 2.409 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)cc(O)c1O ZINC001204349827 1322122167 /nfs/dbraw/zinc/12/21/67/1322122167.db2.gz BYTBRFWJFYHEGH-AWEZNQCLSA-N 2 1 330.384 2.463 20 10 EECDMP COc1cc(CN2CC[C@H](Oc3ccncc3C)C2)cc(O)c1O ZINC001204349827 1322122184 /nfs/dbraw/zinc/12/21/84/1322122184.db2.gz BYTBRFWJFYHEGH-AWEZNQCLSA-N 2 1 330.384 2.463 20 10 EECDMP C[NH+](C)CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319690488 1332742597 /nfs/dbraw/zinc/74/25/97/1332742597.db2.gz FXQKDFCJQVZXKE-UHFFFAOYSA-N 3 1 348.510 2.351 20 10 EECDMP C[C@@H]1[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@H+]1C ZINC001320424897 1332880751 /nfs/dbraw/zinc/88/07/51/1332880751.db2.gz UENVBYPQEFWOJQ-CVEARBPZSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@@H]1[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC[N@@H+]1C ZINC001320424897 1332880752 /nfs/dbraw/zinc/88/07/52/1332880752.db2.gz UENVBYPQEFWOJQ-CVEARBPZSA-N 2 1 334.483 2.102 20 10 EECDMP Oc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1O ZINC001167958535 781194433 /nfs/dbraw/zinc/19/44/33/781194433.db2.gz GYLONRSXSWYTID-IYHXRUFHSA-N 2 1 332.444 2.126 20 10 EECDMP CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000817971813 785122192 /nfs/dbraw/zinc/12/21/92/785122192.db2.gz HIBBBIBFZBGOCZ-ZFWWWQNUSA-N 2 1 349.372 2.408 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2)CC1 ZINC000775742336 577444443 /nfs/dbraw/zinc/44/44/43/577444443.db2.gz UEWQWQKBMLSYMB-TZIWHRDSSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000775742336 577444444 /nfs/dbraw/zinc/44/44/44/577444444.db2.gz UEWQWQKBMLSYMB-TZIWHRDSSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000775742336 577444445 /nfs/dbraw/zinc/44/44/45/577444445.db2.gz UEWQWQKBMLSYMB-TZIWHRDSSA-N 3 1 342.531 2.355 20 10 EECDMP CCCOc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1C ZINC000873041492 1198481738 /nfs/dbraw/zinc/48/17/38/1198481738.db2.gz IBMFPARCAXXSBU-UHFFFAOYSA-N 2 1 333.476 2.038 20 10 EECDMP C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccc(N2CCOCC2)cc1 ZINC000925481509 1206117841 /nfs/dbraw/zinc/11/78/41/1206117841.db2.gz OGSRRGSCAZSEHJ-PPUGWXNWSA-N 2 1 327.472 2.170 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C[NH2+]CCO2 ZINC001235159945 1305131835 /nfs/dbraw/zinc/13/18/35/1305131835.db2.gz ZDSPAWKZFIPOKR-GOSISDBHSA-N 3 1 345.487 2.228 20 10 EECDMP [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C[NH2+]CCO2 ZINC001235159945 1305131840 /nfs/dbraw/zinc/13/18/40/1305131840.db2.gz ZDSPAWKZFIPOKR-GOSISDBHSA-N 2 1 345.487 2.228 20 10 EECDMP [O-]c1cc2c(cc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1)C[NH2+]CCO2 ZINC001235159945 1305131845 /nfs/dbraw/zinc/13/18/45/1305131845.db2.gz ZDSPAWKZFIPOKR-GOSISDBHSA-N 2 1 345.487 2.228 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]34CCOC4)c(F)c2)CC1 ZINC001236942703 1305741181 /nfs/dbraw/zinc/74/11/81/1305741181.db2.gz MPAKYVRFRNITRR-LJQANCHMSA-N 2 1 333.451 2.332 20 10 EECDMP C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140284677 1314853830 /nfs/dbraw/zinc/85/38/30/1314853830.db2.gz XRDOHLNDUPJYDG-MSOLQXFVSA-N 2 1 329.488 2.031 20 10 EECDMP C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140284677 1314853834 /nfs/dbraw/zinc/85/38/34/1314853834.db2.gz XRDOHLNDUPJYDG-MSOLQXFVSA-N 2 1 329.488 2.031 20 10 EECDMP C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140284677 1314853838 /nfs/dbraw/zinc/85/38/38/1314853838.db2.gz XRDOHLNDUPJYDG-MSOLQXFVSA-N 2 1 329.488 2.031 20 10 EECDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205248706 1322329700 /nfs/dbraw/zinc/32/97/00/1322329700.db2.gz RONFXFOZWNMMBB-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1 ZINC001205248706 1322329704 /nfs/dbraw/zinc/32/97/04/1322329704.db2.gz RONFXFOZWNMMBB-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205627415 1323220487 /nfs/dbraw/zinc/22/04/87/1323220487.db2.gz PKGGOISRAFHVLX-HZPDHXFCSA-N 2 1 335.467 2.469 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2F)CC1 ZINC001319715278 1332749525 /nfs/dbraw/zinc/74/95/25/1332749525.db2.gz LKXFZKMVBUMYQR-ZWKOTPCHSA-N 2 1 347.478 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2F)CC1 ZINC001319715278 1332749527 /nfs/dbraw/zinc/74/95/27/1332749527.db2.gz LKXFZKMVBUMYQR-ZWKOTPCHSA-N 2 1 347.478 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3CCO)cc2F)CC1 ZINC001324211294 1333635788 /nfs/dbraw/zinc/63/57/88/1333635788.db2.gz VMTIADBUFMJKCV-WMZOPIPTSA-N 2 1 335.467 2.218 20 10 EECDMP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1N(C)C ZINC000815070347 1367799807 /nfs/dbraw/zinc/79/98/07/1367799807.db2.gz TUFADPBNRGPZRY-LJQANCHMSA-N 2 1 330.520 2.273 20 10 EECDMP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1N(C)C ZINC000815070347 1367799814 /nfs/dbraw/zinc/79/98/14/1367799814.db2.gz TUFADPBNRGPZRY-LJQANCHMSA-N 2 1 330.520 2.273 20 10 EECDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4c([O-])cccc4F)C[C@H]3C2)cn1 ZINC001137836243 1372281285 /nfs/dbraw/zinc/28/12/85/1372281285.db2.gz XFDKIKJTOYRJHZ-HZPDHXFCSA-N 2 1 344.434 2.219 20 10 EECDMP Cn1cc(CN2CC[C@@H]3C[N@H+](Cc4c(O)cccc4F)C[C@H]3C2)cn1 ZINC001137836243 1372281291 /nfs/dbraw/zinc/28/12/91/1372281291.db2.gz XFDKIKJTOYRJHZ-HZPDHXFCSA-N 2 1 344.434 2.219 20 10 EECDMP Cn1cc(CN2CC[C@@H]3C[N@@H+](Cc4c(O)cccc4F)C[C@H]3C2)cn1 ZINC001137836243 1372281294 /nfs/dbraw/zinc/28/12/94/1372281294.db2.gz XFDKIKJTOYRJHZ-HZPDHXFCSA-N 2 1 344.434 2.219 20 10 EECDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921650549 792627500 /nfs/dbraw/zinc/62/75/00/792627500.db2.gz IQAHWUJQQPYUMJ-GOSISDBHSA-N 2 1 345.487 2.044 20 10 EECDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921650549 792627504 /nfs/dbraw/zinc/62/75/04/792627504.db2.gz IQAHWUJQQPYUMJ-GOSISDBHSA-N 2 1 345.487 2.044 20 10 EECDMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000785987181 806657393 /nfs/dbraw/zinc/65/73/93/806657393.db2.gz FHTZEQHQXGTYGE-MBOZVWFJSA-N 2 1 331.504 2.420 20 10 EECDMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000159134776 463269917 /nfs/dbraw/zinc/26/99/17/463269917.db2.gz KHQHJRYFURSQNR-SFHVURJKSA-N 2 1 341.455 2.243 20 10 EECDMP COc1c(O)c(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000278227410 463958488 /nfs/dbraw/zinc/95/84/88/463958488.db2.gz MFSPOFGBDPQVLQ-UHFFFAOYSA-N 2 1 337.420 2.473 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374254136 467034601 /nfs/dbraw/zinc/03/46/01/467034601.db2.gz LBHQIOYJWUWOKZ-FXAWDEMLSA-N 2 1 330.520 2.210 20 10 EECDMP Cc1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)ccc1N(C)C ZINC001275361187 1205320330 /nfs/dbraw/zinc/32/03/30/1205320330.db2.gz PIPOUMQWUXWLLY-PMACEKPBSA-N 2 1 330.520 2.271 20 10 EECDMP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccc(N2CCOCC2)cc1 ZINC000925481515 1206118027 /nfs/dbraw/zinc/11/80/27/1206118027.db2.gz OGSRRGSCAZSEHJ-WIOKJFDHSA-N 2 1 327.472 2.170 20 10 EECDMP CC[C@@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000925776428 1206152981 /nfs/dbraw/zinc/15/29/81/1206152981.db2.gz GPFZXOJSYWHRMO-MOPGFXCFSA-N 2 1 344.503 2.009 20 10 EECDMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000800900137 1234774052 /nfs/dbraw/zinc/77/40/52/1234774052.db2.gz MSXYUKODMVMERX-UHFFFAOYSA-N 3 1 327.476 2.123 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1C ZINC001134767023 1278013793 /nfs/dbraw/zinc/01/37/93/1278013793.db2.gz PUVGYRGPIXILDN-GOSISDBHSA-N 2 1 347.503 2.472 20 10 EECDMP CC(C)(C)c1cc(O)c(CN2CC[NH2+]C[C@@]23CC[NH2+]C3)cc1Cl ZINC001234989642 1305076172 /nfs/dbraw/zinc/07/61/72/1305076172.db2.gz AZYSXTVDIRAPKO-SFHVURJKSA-N 2 1 337.895 2.480 20 10 EECDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1c(C)cc(OC)cc1O ZINC001236813399 1305686920 /nfs/dbraw/zinc/68/69/20/1305686920.db2.gz KAWRWQCXIOLZLD-UHFFFAOYSA-N 2 1 338.448 2.026 20 10 EECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1c(C)cc(OC)cc1O ZINC001236813399 1305686929 /nfs/dbraw/zinc/68/69/29/1305686929.db2.gz KAWRWQCXIOLZLD-UHFFFAOYSA-N 2 1 338.448 2.026 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCNC4=CCCC[C@@H]43)cc2)CC1 ZINC001237226830 1305856570 /nfs/dbraw/zinc/85/65/70/1305856570.db2.gz ZKHDHCGHHYZORG-FQEVSTJZSA-N 2 1 326.488 2.280 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[NH2+]C4=CCCC[C@@H]43)cc2)CC1 ZINC001237226830 1305856594 /nfs/dbraw/zinc/85/65/94/1305856594.db2.gz ZKHDHCGHHYZORG-FQEVSTJZSA-N 2 1 326.488 2.280 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237404650 1305921799 /nfs/dbraw/zinc/92/17/99/1305921799.db2.gz OHKVMLOMIDZYKY-TZIWHRDSSA-N 3 1 342.531 2.402 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237404650 1305921802 /nfs/dbraw/zinc/92/18/02/1305921802.db2.gz OHKVMLOMIDZYKY-TZIWHRDSSA-N 2 1 342.531 2.402 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253130 1314721257 /nfs/dbraw/zinc/72/12/57/1314721257.db2.gz MYZCMLMDSBVFHO-KUHUBIRLSA-N 2 1 336.476 2.445 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@](F)(CO)CC2)cc(C[NH+](C)C)c1O ZINC001139255684 1314722254 /nfs/dbraw/zinc/72/22/54/1314722254.db2.gz RMOVEYFMCUERQM-GOSISDBHSA-N 2 1 340.439 2.149 20 10 EECDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001140620630 1314916101 /nfs/dbraw/zinc/91/61/01/1314916101.db2.gz WCNIZIBFIFYPRP-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001140620630 1314916102 /nfs/dbraw/zinc/91/61/02/1314916102.db2.gz WCNIZIBFIFYPRP-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001140620630 1314916106 /nfs/dbraw/zinc/91/61/06/1314916106.db2.gz WCNIZIBFIFYPRP-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001140620630 1314916107 /nfs/dbraw/zinc/91/61/07/1314916107.db2.gz WCNIZIBFIFYPRP-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001140620630 1314916108 /nfs/dbraw/zinc/91/61/08/1314916108.db2.gz WCNIZIBFIFYPRP-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC000841300502 1315525165 /nfs/dbraw/zinc/52/51/65/1315525165.db2.gz QPSLKYMPZCPKTN-QGZVFWFLSA-N 2 1 333.480 2.149 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1C ZINC000843058126 1315831760 /nfs/dbraw/zinc/83/17/60/1315831760.db2.gz PVGHHFRMBFJHQB-SJLPKXTDSA-N 2 1 345.487 2.089 20 10 EECDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001323828985 1333548932 /nfs/dbraw/zinc/54/89/32/1333548932.db2.gz FQODCFHNRDLMNJ-OWCLPIDISA-N 2 1 345.487 2.426 20 10 EECDMP CC(C)c1ccc(O)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC001575858799 1343905057 /nfs/dbraw/zinc/90/50/57/1343905057.db2.gz PTRSPIGYWCRIOY-KRWDZBQOSA-N 2 1 333.476 2.335 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cc1C ZINC001127256599 794422201 /nfs/dbraw/zinc/42/22/01/794422201.db2.gz PCNVBJKCQFFPNK-QZTJIDSGSA-N 2 1 345.487 2.084 20 10 EECDMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(N2CCOCC2)c(F)c1 ZINC000788256440 807451537 /nfs/dbraw/zinc/45/15/37/807451537.db2.gz JOXKHBSJEMYNMW-AWEZNQCLSA-N 2 1 332.423 2.289 20 10 EECDMP COC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001170523272 812209574 /nfs/dbraw/zinc/20/95/74/812209574.db2.gz CMOXZGYSKCSTMK-RHSMWYFYSA-N 2 1 332.444 2.288 20 10 EECDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(OC)c1O ZINC000289487028 464081174 /nfs/dbraw/zinc/08/11/74/464081174.db2.gz RFICQCKERREIOZ-QGZVFWFLSA-N 2 1 335.492 2.249 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000370698979 466970662 /nfs/dbraw/zinc/97/06/62/466970662.db2.gz KJTHNUBUADOSHB-LPHOPBHVSA-N 2 1 347.503 2.249 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000775726225 577443903 /nfs/dbraw/zinc/44/39/03/577443903.db2.gz PZSISKUZSGVSKC-MOPGFXCFSA-N 2 1 329.488 2.297 20 10 EECDMP Cc1ccc(O)c([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000756563028 577846866 /nfs/dbraw/zinc/84/68/66/577846866.db2.gz MDRCWSQPAKPEHA-OAHLLOKOSA-N 2 1 333.476 2.294 20 10 EECDMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449322 693319446 /nfs/dbraw/zinc/31/94/46/693319446.db2.gz BCKCOTKDPASRDU-XPGWFJOJSA-N 2 1 330.520 2.428 20 10 EECDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449322 693319452 /nfs/dbraw/zinc/31/94/52/693319452.db2.gz BCKCOTKDPASRDU-XPGWFJOJSA-N 2 1 330.520 2.428 20 10 EECDMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1C ZINC000883290135 1202041209 /nfs/dbraw/zinc/04/12/09/1202041209.db2.gz LIJFYRYHPIIMNL-MRXNPFEDSA-N 2 1 327.476 2.331 20 10 EECDMP c1cc(N2CCSCC2)ccc1C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925476465 1206117045 /nfs/dbraw/zinc/11/70/45/1206117045.db2.gz OKXKUGVYMSPOKP-JAQSECSASA-N 2 1 329.513 2.326 20 10 EECDMP COc1ccc(C[NH2+]C2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001101036406 1259598712 /nfs/dbraw/zinc/59/87/12/1259598712.db2.gz PYVFNJKTWVVTLI-UHFFFAOYSA-N 2 1 347.503 2.328 20 10 EECDMP C[NH+](C)CCN1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2O)CCC1=O ZINC001235677111 1305326147 /nfs/dbraw/zinc/32/61/47/1305326147.db2.gz BEXFDMOBNSXSFQ-UHFFFAOYSA-N 2 1 347.503 2.286 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@H](N3CC([NH3+])C3)C2)c(OC)c1 ZINC001236074495 1305492059 /nfs/dbraw/zinc/49/20/59/1305492059.db2.gz YZORSJYFYDKBSO-IBGZPJMESA-N 2 1 346.519 2.149 20 10 EECDMP CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236944043 1305741047 /nfs/dbraw/zinc/74/10/47/1305741047.db2.gz ZCJGEXRAMQRZBC-IBGZPJMESA-N 2 1 348.510 2.492 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cc2)CC1 ZINC001139413137 1314741688 /nfs/dbraw/zinc/74/16/88/1314741688.db2.gz SCZADUBWGHUTHR-UHFFFAOYSA-N 3 1 342.531 2.356 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)cc2)CC1 ZINC001139413137 1314741690 /nfs/dbraw/zinc/74/16/90/1314741690.db2.gz SCZADUBWGHUTHR-UHFFFAOYSA-N 2 1 342.531 2.356 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cc2)CC1 ZINC001139413137 1314741693 /nfs/dbraw/zinc/74/16/93/1314741693.db2.gz SCZADUBWGHUTHR-UHFFFAOYSA-N 2 1 342.531 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C)[C@@H]3CO)cc2)CC1 ZINC001140302660 1314861321 /nfs/dbraw/zinc/86/13/21/1314861321.db2.gz WZMDFGDSXHTAEN-PXNSSMCTSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCCN(C)[C@@H]4C3)cc2)CC1 ZINC001140309722 1314865014 /nfs/dbraw/zinc/86/50/14/1314865014.db2.gz RWDPPJVTLQDYBR-PZJWPPBQSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@@H]4CCC[N@H+](C)[C@@H]4C3)cc2)CC1 ZINC001140309722 1314865019 /nfs/dbraw/zinc/86/50/19/1314865019.db2.gz RWDPPJVTLQDYBR-PZJWPPBQSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)cc2)CC1 ZINC001140309722 1314865025 /nfs/dbraw/zinc/86/50/25/1314865025.db2.gz RWDPPJVTLQDYBR-PZJWPPBQSA-N 2 1 342.531 2.355 20 10 EECDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(N2CCCC2)cc1 ZINC001323695320 1333518066 /nfs/dbraw/zinc/51/80/66/1333518066.db2.gz OXAUNRSHWXFDHK-UHFFFAOYSA-N 2 1 330.520 2.356 20 10 EECDMP COc1cc(C)cc(C[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1O ZINC001332024557 1335708084 /nfs/dbraw/zinc/70/80/84/1335708084.db2.gz IPYUBLAZLYRJQY-UHFFFAOYSA-N 2 1 334.460 2.442 20 10 EECDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2[O-])C1 ZINC001589963545 1349082826 /nfs/dbraw/zinc/08/28/26/1349082826.db2.gz LAZWDSKBKNBVPR-KBPBESRZSA-N 2 1 344.463 2.343 20 10 EECDMP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)Cn2c[nH+]cc2C)cc1C ZINC001755595592 1407666349 /nfs/dbraw/zinc/66/63/49/1407666349.db2.gz SLVXUBVQIJRETA-OAHLLOKOSA-N 2 1 344.459 2.145 20 10 EECDMP CC(=O)Nc1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC001167423096 758343737 /nfs/dbraw/zinc/34/37/37/758343737.db2.gz MYPXZQRKEDPLQB-UHFFFAOYSA-N 2 1 339.443 2.404 20 10 EECDMP CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809790159 783395174 /nfs/dbraw/zinc/39/51/74/783395174.db2.gz AYIYYXZYMWDESL-HXUWFJFHSA-N 2 1 331.504 2.423 20 10 EECDMP CC[C@H]([NH2+]Cc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817889223 785023839 /nfs/dbraw/zinc/02/38/39/785023839.db2.gz NZWUIXLBOGRSEC-WDSOQIARSA-N 2 1 344.503 2.009 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2F)CC1 ZINC000817902292 785054625 /nfs/dbraw/zinc/05/46/25/785054625.db2.gz MKIQPJLDXNJAFH-VQIMIIECSA-N 2 1 348.510 2.445 20 10 EECDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(F)cc1O ZINC000285589531 464619512 /nfs/dbraw/zinc/61/95/12/464619512.db2.gz HTXKHLKHUBELFW-WWTUQBGBSA-N 2 1 349.450 2.266 20 10 EECDMP CCN(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000773775109 577363919 /nfs/dbraw/zinc/36/39/19/577363919.db2.gz WOCWNKJVEBFSMD-HXUWFJFHSA-N 2 1 330.520 2.355 20 10 EECDMP CCN(C)c1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000773775109 577363921 /nfs/dbraw/zinc/36/39/21/577363921.db2.gz WOCWNKJVEBFSMD-HXUWFJFHSA-N 2 1 330.520 2.355 20 10 EECDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000756550839 577846511 /nfs/dbraw/zinc/84/65/11/577846511.db2.gz SUNZXNTUCQHUIS-CHWSQXEVSA-N 2 1 339.867 2.284 20 10 EECDMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873015689 1198475257 /nfs/dbraw/zinc/47/52/57/1198475257.db2.gz UDWCVHQFRHIDMN-QGZVFWFLSA-N 2 1 328.460 2.371 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1C ZINC001020302731 1229614999 /nfs/dbraw/zinc/61/49/99/1229614999.db2.gz QRTJSVVBWQOEGN-KZNAEPCWSA-N 2 1 345.487 2.225 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001000926898 1241225185 /nfs/dbraw/zinc/22/51/85/1241225185.db2.gz KQZZYMGSJGZECK-MSOLQXFVSA-N 2 1 345.487 2.036 20 10 EECDMP Cc1cc(O)c(C[NH+]2CCN(CCC[NH+](C)C)CC2)cc1Cl ZINC001231870710 1303934921 /nfs/dbraw/zinc/93/49/21/1303934921.db2.gz PDTPCZMCKVAWPH-UHFFFAOYSA-N 2 1 325.884 2.423 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237386875 1305914047 /nfs/dbraw/zinc/91/40/47/1305914047.db2.gz BAHRYIZDUPJNKG-AZUAARDMSA-N 3 1 328.504 2.012 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237386875 1305914049 /nfs/dbraw/zinc/91/40/49/1305914049.db2.gz BAHRYIZDUPJNKG-AZUAARDMSA-N 2 1 328.504 2.012 20 10 EECDMP C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)CC[C@H]2O1 ZINC001139407402 1314740206 /nfs/dbraw/zinc/74/02/06/1314740206.db2.gz AJMHDGMYAUJIRP-XKGZKEIXSA-N 2 1 329.488 2.438 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[N@@H+](CC)[C@H](C)C3)cc2)CC1 ZINC001140306613 1314863604 /nfs/dbraw/zinc/86/36/04/1314863604.db2.gz SVMVIMQXPRZYIA-GOSISDBHSA-N 2 1 330.520 2.355 20 10 EECDMP CCN1CC[N@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C[C@H]1C ZINC001140306613 1314863611 /nfs/dbraw/zinc/86/36/11/1314863611.db2.gz SVMVIMQXPRZYIA-GOSISDBHSA-N 2 1 330.520 2.355 20 10 EECDMP CCN1CC[N@@H+](Cc2ccc(N3CC[NH+](CC)CC3)cc2)C[C@H]1C ZINC001140306613 1314863618 /nfs/dbraw/zinc/86/36/18/1314863618.db2.gz SVMVIMQXPRZYIA-GOSISDBHSA-N 2 1 330.520 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@@H]([N@@H+](C)C4CC4)C3)cc2)CC1 ZINC001140309471 1314865499 /nfs/dbraw/zinc/86/54/99/1314865499.db2.gz HUCOJJRNZNCNTO-OAQYLSRUSA-N 2 1 342.531 2.497 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](N(C)C4CC4)C3)cc2)CC1 ZINC001140309471 1314865504 /nfs/dbraw/zinc/86/55/04/1314865504.db2.gz HUCOJJRNZNCNTO-OAQYLSRUSA-N 2 1 342.531 2.497 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N(C)C4CC4)C3)cc2)CC1 ZINC001140309471 1314865511 /nfs/dbraw/zinc/86/55/11/1314865511.db2.gz HUCOJJRNZNCNTO-OAQYLSRUSA-N 2 1 342.531 2.497 20 10 EECDMP COc1ccc(N2CC[NH+](C[C@H]3[C@H](C)C[NH2+]CC3(F)F)CC2)cc1 ZINC001204621761 1322197731 /nfs/dbraw/zinc/19/77/31/1322197731.db2.gz MRFLXUKJFZQFSD-PBHICJAKSA-N 2 1 339.430 2.308 20 10 EECDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCCC[C@](O)(C[NH3+])C3)ccc2O1 ZINC001205735667 1323274819 /nfs/dbraw/zinc/27/48/19/1323274819.db2.gz PIYPMKDHNBDVJZ-IBGZPJMESA-N 2 1 332.444 2.252 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002742 1323367457 /nfs/dbraw/zinc/36/74/57/1323367457.db2.gz AFENOFIRACKVKX-IEBWSBKVSA-N 3 1 330.520 2.245 20 10 EECDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002742 1323367466 /nfs/dbraw/zinc/36/74/66/1323367466.db2.gz AFENOFIRACKVKX-IEBWSBKVSA-N 2 1 330.520 2.245 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206002742 1323367471 /nfs/dbraw/zinc/36/74/71/1323367471.db2.gz AFENOFIRACKVKX-IEBWSBKVSA-N 2 1 330.520 2.245 20 10 EECDMP Oc1c(F)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001308682762 1331601887 /nfs/dbraw/zinc/60/18/87/1331601887.db2.gz CXABGYYMBBOMJU-QGZVFWFLSA-N 2 1 330.403 2.388 20 10 EECDMP Oc1c(F)cccc1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001308682762 1331601890 /nfs/dbraw/zinc/60/18/90/1331601890.db2.gz CXABGYYMBBOMJU-QGZVFWFLSA-N 2 1 330.403 2.388 20 10 EECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001325321791 1333863365 /nfs/dbraw/zinc/86/33/65/1333863365.db2.gz ZSHNLKQWJBIVLT-DOTOQJQBSA-N 3 1 334.483 2.055 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[N@@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001337026123 1336632605 /nfs/dbraw/zinc/63/26/05/1336632605.db2.gz MQJMSRCMABNCHH-SFHVURJKSA-N 2 1 346.494 2.248 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001337026123 1336632608 /nfs/dbraw/zinc/63/26/08/1336632608.db2.gz MQJMSRCMABNCHH-SFHVURJKSA-N 2 1 346.494 2.248 20 10 EECDMP COc1c(O)c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000774875634 577421495 /nfs/dbraw/zinc/42/14/95/577421495.db2.gz LUCKCWDLMOHXAM-CYBMUJFWSA-N 2 1 332.360 2.343 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CCCC[C@@H]4C3)cc2)CC1 ZINC000775664954 577442175 /nfs/dbraw/zinc/44/21/75/577442175.db2.gz FIPNZQWYHMUPBR-HXUWFJFHSA-N 2 1 328.504 2.109 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4CCCC[C@@H]4C3)cc2)CC1 ZINC000775664954 577442176 /nfs/dbraw/zinc/44/21/76/577442176.db2.gz FIPNZQWYHMUPBR-HXUWFJFHSA-N 2 1 328.504 2.109 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4CCCC[C@@H]4C3)cc2)CC1 ZINC000775664954 577442177 /nfs/dbraw/zinc/44/21/77/577442177.db2.gz FIPNZQWYHMUPBR-HXUWFJFHSA-N 2 1 328.504 2.109 20 10 EECDMP COc1cc(C)cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000894770525 683076361 /nfs/dbraw/zinc/07/63/61/683076361.db2.gz PRQXDENXIYZEMU-SFHVURJKSA-N 2 1 347.503 2.310 20 10 EECDMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000702601905 1196043632 /nfs/dbraw/zinc/04/36/32/1196043632.db2.gz DJZSYWKCCAXRLO-FQEVSTJZSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000702601905 1196043640 /nfs/dbraw/zinc/04/36/40/1196043640.db2.gz DJZSYWKCCAXRLO-FQEVSTJZSA-N 2 1 326.440 2.427 20 10 EECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1O ZINC001276169186 1205811706 /nfs/dbraw/zinc/81/17/06/1205811706.db2.gz NBJBRYBFPPUNKH-AYHJJNSGSA-N 2 1 334.460 2.406 20 10 EECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1O ZINC001276169186 1205811708 /nfs/dbraw/zinc/81/17/08/1205811708.db2.gz NBJBRYBFPPUNKH-AYHJJNSGSA-N 2 1 334.460 2.406 20 10 EECDMP OC1CCN(c2ccc(C[N@@H+]3CCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243871 1299434478 /nfs/dbraw/zinc/43/44/78/1299434478.db2.gz QHGOTCHXBLOSNF-FQEVSTJZSA-N 2 1 329.488 2.366 20 10 EECDMP OC1CCN(c2ccc(C[N@H+]3CCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243871 1299434483 /nfs/dbraw/zinc/43/44/83/1299434483.db2.gz QHGOTCHXBLOSNF-FQEVSTJZSA-N 2 1 329.488 2.366 20 10 EECDMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1O)C2 ZINC001277441464 1303030246 /nfs/dbraw/zinc/03/02/46/1303030246.db2.gz LIFHHBNSNVNTTJ-YLJYHZDGSA-N 2 1 345.487 2.014 20 10 EECDMP CC[N@H+](CCN1CCCCC1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235961092 1305456858 /nfs/dbraw/zinc/45/68/58/1305456858.db2.gz YORLEOLHGIGZGA-UHFFFAOYSA-N 2 1 330.520 2.404 20 10 EECDMP CC[N@@H+](CCN1CCCCC1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235961092 1305456865 /nfs/dbraw/zinc/45/68/65/1305456865.db2.gz YORLEOLHGIGZGA-UHFFFAOYSA-N 2 1 330.520 2.404 20 10 EECDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H]1C ZINC001236948151 1305742298 /nfs/dbraw/zinc/74/22/98/1305742298.db2.gz VKWGYCPMGFYFGK-MRXNPFEDSA-N 2 1 334.483 2.104 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC001139409934 1314740540 /nfs/dbraw/zinc/74/05/40/1314740540.db2.gz VYOOHLRLLFAKHI-FQEVSTJZSA-N 2 1 328.504 2.109 20 10 EECDMP c1cc(N2CCOCC2)ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000843054647 1315830527 /nfs/dbraw/zinc/83/05/27/1315830527.db2.gz ZARZBVTVLGCPOW-UHFFFAOYSA-N 2 1 329.488 2.487 20 10 EECDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1F ZINC001206199682 1323423908 /nfs/dbraw/zinc/42/39/08/1323423908.db2.gz OZELDFNGNOZCIG-DLBZAZTESA-N 2 1 341.858 2.438 20 10 EECDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1F ZINC001206199682 1323423913 /nfs/dbraw/zinc/42/39/13/1323423913.db2.gz OZELDFNGNOZCIG-DLBZAZTESA-N 2 1 341.858 2.438 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[NH+](C4CCC4)CC3)cc2F)CC1 ZINC001320497762 1332897027 /nfs/dbraw/zinc/89/70/27/1332897027.db2.gz MLFONOSSGYGEEB-UHFFFAOYSA-N 2 1 346.494 2.248 20 10 EECDMP Cc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1N(C)C ZINC000815070346 1367800415 /nfs/dbraw/zinc/80/04/15/1367800415.db2.gz TUFADPBNRGPZRY-IBGZPJMESA-N 2 1 330.520 2.273 20 10 EECDMP Cc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1N(C)C ZINC000815070346 1367800420 /nfs/dbraw/zinc/80/04/20/1367800420.db2.gz TUFADPBNRGPZRY-IBGZPJMESA-N 2 1 330.520 2.273 20 10 EECDMP CCN(CC)c1ccc(C[NH+]2CCN(CC[NH+](C)C)CC2)c(OC)c1 ZINC001138387294 1372388873 /nfs/dbraw/zinc/38/88/73/1372388873.db2.gz ABQJOYIDDAUZGC-UHFFFAOYSA-N 2 1 348.535 2.221 20 10 EECDMP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001168996551 803562468 /nfs/dbraw/zinc/56/24/68/803562468.db2.gz VYTQENNRZOLOCS-WMLDXEAASA-N 2 1 333.432 2.392 20 10 EECDMP COC(=O)CN(CCn1cc[nH+]c1C)Cc1cc(Cl)ccc1O ZINC000270817379 464268705 /nfs/dbraw/zinc/26/87/05/464268705.db2.gz ALSOKEYOJJULQY-UHFFFAOYSA-N 2 1 337.807 2.226 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3C3OCCO3)cc2)CC1 ZINC000775675045 577442419 /nfs/dbraw/zinc/44/24/19/577442419.db2.gz QIOHAHXCGAOOEK-IBGZPJMESA-N 2 1 345.487 2.166 20 10 EECDMP CCN(C)c1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765800359 577507467 /nfs/dbraw/zinc/50/74/67/577507467.db2.gz ZXAYANKZORSOEC-FUHWJXTLSA-N 2 1 346.519 2.381 20 10 EECDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cccc1F ZINC001273265137 1197887385 /nfs/dbraw/zinc/88/73/85/1197887385.db2.gz CSUQFTZUBJTNJD-LJQANCHMSA-N 2 1 349.450 2.050 20 10 EECDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cccc1F ZINC001273265137 1197887389 /nfs/dbraw/zinc/88/73/89/1197887389.db2.gz CSUQFTZUBJTNJD-LJQANCHMSA-N 2 1 349.450 2.050 20 10 EECDMP CCOc1cccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c1O ZINC001275271044 1205295421 /nfs/dbraw/zinc/29/54/21/1205295421.db2.gz OJEFENGSIBUGCV-UHFFFAOYSA-N 2 1 347.503 2.250 20 10 EECDMP Cc1cc(C[N@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)ccc1N(C)C ZINC001275361627 1205320850 /nfs/dbraw/zinc/32/08/50/1205320850.db2.gz ZZRRLXSIWPZESZ-AZUAARDMSA-N 2 1 330.520 2.129 20 10 EECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000246897431 1213394176 /nfs/dbraw/zinc/39/41/76/1213394176.db2.gz HKSWJDFYYLLZMY-MAUKXSAKSA-N 2 1 335.467 2.482 20 10 EECDMP CN1CCCc2cc(C[N@@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc21 ZINC001235004743 1305081683 /nfs/dbraw/zinc/08/16/83/1305081683.db2.gz AWSWMPFEWPUDBI-FQEVSTJZSA-N 2 1 329.488 2.271 20 10 EECDMP CN1CCCc2cc(C[N@H+]3CCOC[C@]4(CCC[NH2+]C4)C3)ccc21 ZINC001235004743 1305081688 /nfs/dbraw/zinc/08/16/88/1305081688.db2.gz AWSWMPFEWPUDBI-FQEVSTJZSA-N 2 1 329.488 2.271 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)c(F)c2)CC1 ZINC001236942426 1305739065 /nfs/dbraw/zinc/73/90/65/1305739065.db2.gz JLTSCYDQBVDAFL-KJWXAFIESA-N 2 1 345.462 2.187 20 10 EECDMP CCOc1ccc(C[N@H+](CCC[NH+](C)C)CCC(=O)OC)c(O)c1 ZINC001237042428 1305775100 /nfs/dbraw/zinc/77/51/00/1305775100.db2.gz VHVUNFBUVAHJEZ-UHFFFAOYSA-N 2 1 338.448 2.108 20 10 EECDMP CCOc1ccc(C[N@@H+](CCC[NH+](C)C)CCC(=O)OC)c(O)c1 ZINC001237042428 1305775108 /nfs/dbraw/zinc/77/51/08/1305775108.db2.gz VHVUNFBUVAHJEZ-UHFFFAOYSA-N 2 1 338.448 2.108 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253331 1314721598 /nfs/dbraw/zinc/72/15/98/1314721598.db2.gz RBVOCWXWZCMXDH-NVXWUHKLSA-N 2 1 334.460 2.463 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256088 1314722184 /nfs/dbraw/zinc/72/21/84/1314722184.db2.gz SSUDJFROZMFZNM-AUUYWEPGSA-N 2 1 336.476 2.445 20 10 EECDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841003977 1315452724 /nfs/dbraw/zinc/45/27/24/1315452724.db2.gz JKLSTNSKPHFWHL-SFHVURJKSA-N 2 1 346.519 2.162 20 10 EECDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]21 ZINC000843060243 1315832263 /nfs/dbraw/zinc/83/22/63/1315832263.db2.gz YYHMFBWVUUSZQV-XYJFISCASA-N 2 1 333.451 2.222 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205626250 1323220948 /nfs/dbraw/zinc/22/09/48/1323220948.db2.gz FBBNGPMPEODWAN-FUHWJXTLSA-N 2 1 331.504 2.455 20 10 EECDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)ccc2O1 ZINC001205735669 1323274754 /nfs/dbraw/zinc/27/47/54/1323274754.db2.gz PIYPMKDHNBDVJZ-LJQANCHMSA-N 2 1 332.444 2.252 20 10 EECDMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c(O)c1 ZINC001140952122 1372726140 /nfs/dbraw/zinc/72/61/40/1372726140.db2.gz FWHVOBYHOHTGTG-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c(O)c1 ZINC001140952122 1372726148 /nfs/dbraw/zinc/72/61/48/1372726148.db2.gz FWHVOBYHOHTGTG-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(O)c1 ZINC001140952122 1372726152 /nfs/dbraw/zinc/72/61/52/1372726152.db2.gz FWHVOBYHOHTGTG-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c(O)c1 ZINC001140952122 1372726153 /nfs/dbraw/zinc/72/61/53/1372726153.db2.gz FWHVOBYHOHTGTG-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(OC)ccc3O)CC2)CC1 ZINC000817413792 784765976 /nfs/dbraw/zinc/76/59/76/784765976.db2.gz JYNFGJHEQJHSMF-UHFFFAOYSA-N 2 1 347.503 2.393 20 10 EECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@@H+]1C ZINC000151513081 463545207 /nfs/dbraw/zinc/54/52/07/463545207.db2.gz GRGQXLQCSGJDOW-ZBFHGGJFSA-N 2 1 335.467 2.359 20 10 EECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@H+]1C ZINC000151513081 463545214 /nfs/dbraw/zinc/54/52/14/463545214.db2.gz GRGQXLQCSGJDOW-ZBFHGGJFSA-N 2 1 335.467 2.359 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOCC4(CCC4)C3)cc2)CC1 ZINC000761225572 577679683 /nfs/dbraw/zinc/67/96/83/577679683.db2.gz JIDZYFFVZPNBEU-UHFFFAOYSA-N 2 1 329.488 2.441 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)cc1C ZINC000968921974 1221673759 /nfs/dbraw/zinc/67/37/59/1221673759.db2.gz PPIXGUOKFKEAJI-QGZVFWFLSA-N 2 1 345.487 2.178 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]34CCOC4)c(F)c2)CC1 ZINC001236942701 1305738766 /nfs/dbraw/zinc/73/87/66/1305738766.db2.gz MPAKYVRFRNITRR-IBGZPJMESA-N 2 1 333.451 2.332 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155192 1305808652 /nfs/dbraw/zinc/80/86/52/1305808652.db2.gz PBACWUNFWMYHKS-FQEVSTJZSA-N 3 1 328.504 2.203 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+](C1CCC1)[C@H]1CCC[NH2+]C1 ZINC001237155192 1305808671 /nfs/dbraw/zinc/80/86/71/1305808671.db2.gz PBACWUNFWMYHKS-FQEVSTJZSA-N 3 1 328.504 2.203 20 10 EECDMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCC12C[NH2+]C2 ZINC001237431240 1305930221 /nfs/dbraw/zinc/93/02/21/1305930221.db2.gz PTBKJISIFGAQQV-KRWDZBQOSA-N 2 1 345.487 2.036 20 10 EECDMP Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC001139132608 1314708940 /nfs/dbraw/zinc/70/89/40/1314708940.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 2 1 328.412 2.335 20 10 EECDMP Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001139132608 1314708941 /nfs/dbraw/zinc/70/89/41/1314708941.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 2 1 328.412 2.335 20 10 EECDMP Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC001139132608 1314708946 /nfs/dbraw/zinc/70/89/46/1314708946.db2.gz YBYFGHKKJPXBOM-LJQANCHMSA-N 2 1 328.412 2.335 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)C[C@]3(C)CO)cc2)CC1 ZINC001139409223 1314740734 /nfs/dbraw/zinc/74/07/34/1314740734.db2.gz XAIQJMKNNRLOIW-HXUWFJFHSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)cc2)CC1 ZINC001140306766 1314862908 /nfs/dbraw/zinc/86/29/08/1314862908.db2.gz XAKRHGVGOAAGKM-QUCCMNQESA-N 2 1 329.488 2.439 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CCCN(C)[C@H]4C3)cc2)CC1 ZINC001140309720 1314865129 /nfs/dbraw/zinc/86/51/29/1314865129.db2.gz RWDPPJVTLQDYBR-CTNGQTDRSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[N@H+](C)[C@H]4C3)cc2)CC1 ZINC001140309720 1314865134 /nfs/dbraw/zinc/86/51/34/1314865134.db2.gz RWDPPJVTLQDYBR-CTNGQTDRSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[N@@H+](C)[C@H]4C3)cc2)CC1 ZINC001140309720 1314865138 /nfs/dbraw/zinc/86/51/38/1314865138.db2.gz RWDPPJVTLQDYBR-CTNGQTDRSA-N 2 1 342.531 2.355 20 10 EECDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@H]21 ZINC000843060241 1315832754 /nfs/dbraw/zinc/83/27/54/1315832754.db2.gz YYHMFBWVUUSZQV-LZLYRXPVSA-N 2 1 333.451 2.222 20 10 EECDMP COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843125370 1315849465 /nfs/dbraw/zinc/84/94/65/1315849465.db2.gz UDFAMVWJUNDHIW-QWHCGFSZSA-N 2 1 335.404 2.131 20 10 EECDMP COc1c(O)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843125370 1315849466 /nfs/dbraw/zinc/84/94/66/1315849466.db2.gz UDFAMVWJUNDHIW-QWHCGFSZSA-N 2 1 335.404 2.131 20 10 EECDMP C[NH+](C)CCN1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143112136 1315865715 /nfs/dbraw/zinc/86/57/15/1315865715.db2.gz MEXULNZNEDJVLK-UHFFFAOYSA-N 2 1 347.503 2.286 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001157894330 1318920637 /nfs/dbraw/zinc/92/06/37/1318920637.db2.gz ZVPLGKLZRDCTRQ-SFHVURJKSA-N 2 1 347.503 2.472 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206003160 1323367219 /nfs/dbraw/zinc/36/72/19/1323367219.db2.gz FMKJYNQBEACAAP-JKSUJKDBSA-N 2 1 335.467 2.469 20 10 EECDMP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001317403427 1332216047 /nfs/dbraw/zinc/21/60/47/1332216047.db2.gz YEFAQQMRBUNTEX-WMZOPIPTSA-N 2 1 347.503 2.472 20 10 EECDMP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717151 1332749269 /nfs/dbraw/zinc/74/92/69/1332749269.db2.gz LSQCDJHCQHVXPQ-SFHVURJKSA-N 2 1 348.510 2.351 20 10 EECDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001319717151 1332749271 /nfs/dbraw/zinc/74/92/71/1332749271.db2.gz LSQCDJHCQHVXPQ-SFHVURJKSA-N 2 1 348.510 2.351 20 10 EECDMP CC[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)C1 ZINC001323999249 1333585737 /nfs/dbraw/zinc/58/57/37/1333585737.db2.gz GFTISDSFXSTDQE-MRXNPFEDSA-N 2 1 334.483 2.104 20 10 EECDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)C1 ZINC001323999249 1333585740 /nfs/dbraw/zinc/58/57/40/1333585740.db2.gz GFTISDSFXSTDQE-MRXNPFEDSA-N 2 1 334.483 2.104 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834171 1337582082 /nfs/dbraw/zinc/58/20/82/1337582082.db2.gz KQNQZLURFBYSSZ-RYRKJORJSA-N 2 1 348.510 2.383 20 10 EECDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834171 1337582084 /nfs/dbraw/zinc/58/20/84/1337582084.db2.gz KQNQZLURFBYSSZ-RYRKJORJSA-N 3 1 348.510 2.383 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834171 1337582088 /nfs/dbraw/zinc/58/20/88/1337582088.db2.gz KQNQZLURFBYSSZ-RYRKJORJSA-N 3 1 348.510 2.383 20 10 EECDMP CCC[N@@H+](C)CC(=O)NCCC1=CCN(c2cc(C)nc(C)n2)CC1 ZINC001089840560 777612720 /nfs/dbraw/zinc/61/27/20/777612720.db2.gz VNHBLHARXYOWOD-UHFFFAOYSA-N 2 1 345.491 2.078 20 10 EECDMP CCC[N@@H+](C)CC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089840560 777612722 /nfs/dbraw/zinc/61/27/22/777612722.db2.gz VNHBLHARXYOWOD-UHFFFAOYSA-N 2 1 345.491 2.078 20 10 EECDMP CN(CCC[N@H+](C)Cc1c(O)ccc(Cl)c1F)CC[NH+](C)C ZINC000809788269 783393296 /nfs/dbraw/zinc/39/32/96/783393296.db2.gz PBDBTSFQNNXEST-UHFFFAOYSA-N 2 1 331.863 2.500 20 10 EECDMP CN(CCC[N@@H+](C)Cc1c(O)ccc(Cl)c1F)CC[NH+](C)C ZINC000809788269 783393303 /nfs/dbraw/zinc/39/33/03/783393303.db2.gz PBDBTSFQNNXEST-UHFFFAOYSA-N 2 1 331.863 2.500 20 10 EECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@H](C)C1 ZINC000173362442 791847477 /nfs/dbraw/zinc/84/74/77/791847477.db2.gz HKSWJDFYYLLZMY-CRAIPNDOSA-N 2 1 335.467 2.482 20 10 EECDMP Cc1nn(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC000922332049 800613616 /nfs/dbraw/zinc/61/36/16/800613616.db2.gz ALUNKKDTQHTWED-UHFFFAOYSA-N 2 1 347.894 2.424 20 10 EECDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165181764 463640659 /nfs/dbraw/zinc/64/06/59/463640659.db2.gz NANMWRWKZGSJAW-RKVPGOIHSA-N 2 1 335.467 2.481 20 10 EECDMP CCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c(O)c1 ZINC000093133196 528664404 /nfs/dbraw/zinc/66/44/04/528664404.db2.gz OWFLVLZSLSMGNK-SFHVURJKSA-N 2 1 347.503 2.393 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000775736286 577444293 /nfs/dbraw/zinc/44/42/93/577444293.db2.gz BKBBUJZUIMNAMC-RTBURBONSA-N 2 1 347.528 2.145 20 10 EECDMP CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)c1 ZINC000769525574 577579703 /nfs/dbraw/zinc/57/97/03/577579703.db2.gz IPWUDOVPQRTNOM-LPHOPBHVSA-N 2 1 347.503 2.249 20 10 EECDMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876989107 1199837842 /nfs/dbraw/zinc/83/78/42/1199837842.db2.gz UYCJIBRTMWIHJQ-SFHVURJKSA-N 2 1 331.504 2.469 20 10 EECDMP Cc1c(O)ccc(C[NH+]2CCC3(CC[N@H+](CCN(C)C)C3)CC2)c1O ZINC001276118309 1205782207 /nfs/dbraw/zinc/78/22/07/1205782207.db2.gz WNXUJMIYXWYPLW-UHFFFAOYSA-N 2 1 347.503 2.256 20 10 EECDMP Cc1c(O)ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c1O ZINC001276118309 1205782209 /nfs/dbraw/zinc/78/22/09/1205782209.db2.gz WNXUJMIYXWYPLW-UHFFFAOYSA-N 2 1 347.503 2.256 20 10 EECDMP CN(C)c1cc(F)c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000858133473 1294017088 /nfs/dbraw/zinc/01/70/88/1294017088.db2.gz QSXILXGOKIIJCT-OAHLLOKOSA-N 2 1 341.446 2.357 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000783668491 1304322563 /nfs/dbraw/zinc/32/25/63/1304322563.db2.gz RLCDOLJQBIYKKE-SFHVURJKSA-N 2 1 325.460 2.499 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000783668491 1304322569 /nfs/dbraw/zinc/32/25/69/1304322569.db2.gz RLCDOLJQBIYKKE-SFHVURJKSA-N 2 1 325.460 2.499 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189552 1305141452 /nfs/dbraw/zinc/14/14/52/1305141452.db2.gz LYOISFZELLOLQJ-UHFFFAOYSA-N 2 1 328.504 2.204 20 10 EECDMP OC1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237391072 1305916993 /nfs/dbraw/zinc/91/69/93/1305916993.db2.gz JYFQSNBXYQLYII-XLIONFOSSA-N 2 1 329.488 2.222 20 10 EECDMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2O)CCC12C[NH2+]C2 ZINC001237429178 1305928362 /nfs/dbraw/zinc/92/83/62/1305928362.db2.gz DPXZWCPARXTPMQ-QGZVFWFLSA-N 2 1 346.471 2.490 20 10 EECDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140287828 1314854168 /nfs/dbraw/zinc/85/41/68/1314854168.db2.gz HUTSALYLMZBJLM-YLJYHZDGSA-N 2 1 329.488 2.031 20 10 EECDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC001140287828 1314854171 /nfs/dbraw/zinc/85/41/71/1314854171.db2.gz HUTSALYLMZBJLM-YLJYHZDGSA-N 2 1 329.488 2.031 20 10 EECDMP CC[N@@H+](CCC(=O)OC)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140309653 1314865333 /nfs/dbraw/zinc/86/53/33/1314865333.db2.gz PCCGQDJLCKYTBD-UHFFFAOYSA-N 2 1 333.476 2.214 20 10 EECDMP CC[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C ZINC001254010945 1317981695 /nfs/dbraw/zinc/98/16/95/1317981695.db2.gz QNXNNMYGSIAZRR-INIZCTEOSA-N 2 1 334.483 2.104 20 10 EECDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C ZINC001254010945 1317981698 /nfs/dbraw/zinc/98/16/98/1317981698.db2.gz QNXNNMYGSIAZRR-INIZCTEOSA-N 2 1 334.483 2.104 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206021688 1323371611 /nfs/dbraw/zinc/37/16/11/1323371611.db2.gz ATAORGPAMJQGMO-DLBZAZTESA-N 3 1 348.510 2.384 20 10 EECDMP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206021688 1323371615 /nfs/dbraw/zinc/37/16/15/1323371615.db2.gz ATAORGPAMJQGMO-DLBZAZTESA-N 2 1 348.510 2.384 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206021688 1323371622 /nfs/dbraw/zinc/37/16/22/1323371622.db2.gz ATAORGPAMJQGMO-DLBZAZTESA-N 2 1 348.510 2.384 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](CO)C(C)(C)C ZINC001319718919 1332749868 /nfs/dbraw/zinc/74/98/68/1332749868.db2.gz SDEZGGRWADIWAG-SFHVURJKSA-N 2 1 337.483 2.416 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](CO)C(C)(C)C ZINC001319718919 1332749869 /nfs/dbraw/zinc/74/98/69/1332749869.db2.gz SDEZGGRWADIWAG-SFHVURJKSA-N 2 1 337.483 2.416 20 10 EECDMP C[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1C[NH3+] ZINC001326201956 1334042419 /nfs/dbraw/zinc/04/24/19/1334042419.db2.gz YFWOXQSJEHJIRG-DNVCBOLYSA-N 2 1 334.483 2.137 20 10 EECDMP Cc1noc([C@@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n1 ZINC000794141420 1367714007 /nfs/dbraw/zinc/71/40/07/1367714007.db2.gz VJZHSTVZRSSMJC-QGZVFWFLSA-N 2 1 341.459 2.119 20 10 EECDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341130 1372384676 /nfs/dbraw/zinc/38/46/76/1372384676.db2.gz IFDZQNMUWZPGMZ-HDICACEKSA-N 2 1 341.499 2.475 20 10 EECDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341130 1372384681 /nfs/dbraw/zinc/38/46/81/1372384681.db2.gz IFDZQNMUWZPGMZ-HDICACEKSA-N 2 1 341.499 2.475 20 10 EECDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3cc4c5c(c3O)CCCN5CCC4)C[C@@H]2C1 ZINC001138341130 1372384684 /nfs/dbraw/zinc/38/46/84/1372384684.db2.gz IFDZQNMUWZPGMZ-HDICACEKSA-N 2 1 341.499 2.475 20 10 EECDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1c(O)cccc1F)C2 ZINC001276360661 1214658868 /nfs/dbraw/zinc/65/88/68/1214658868.db2.gz VRUIGQXVUQWTBK-LJQANCHMSA-N 2 1 335.467 2.381 20 10 EECDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001276360661 1214658872 /nfs/dbraw/zinc/65/88/72/1214658872.db2.gz VRUIGQXVUQWTBK-LJQANCHMSA-N 2 1 335.467 2.381 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000850406907 1277217276 /nfs/dbraw/zinc/21/72/76/1277217276.db2.gz YRISBHZRDIQSHV-HKUYNNGSSA-N 2 1 329.488 2.364 20 10 EECDMP CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CC[N@H+]2Cc1ccccc1O ZINC001277440826 1303026841 /nfs/dbraw/zinc/02/68/41/1303026841.db2.gz FUXSSMIQVBZOQD-FXAWDEMLSA-N 2 1 345.487 2.157 20 10 EECDMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c(C)n1-c1ccccc1 ZINC001235002376 1305080044 /nfs/dbraw/zinc/08/00/44/1305080044.db2.gz OUBGHHGGVCTNAY-QUCCMNQESA-N 2 1 325.456 2.108 20 10 EECDMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)c(C)n1-c1ccccc1 ZINC001235002376 1305080053 /nfs/dbraw/zinc/08/00/53/1305080053.db2.gz OUBGHHGGVCTNAY-QUCCMNQESA-N 2 1 325.456 2.108 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235045680 1305096765 /nfs/dbraw/zinc/09/67/65/1305096765.db2.gz LURBQEQXSHTBQS-HXUWFJFHSA-N 3 1 328.504 2.204 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4COC[C@@H]4C3)c(F)c2)CC1 ZINC001236941789 1305739158 /nfs/dbraw/zinc/73/91/58/1305739158.db2.gz FPTKSRWTJSKKAJ-IRXDYDNUSA-N 2 1 333.451 2.046 20 10 EECDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(O)ccc(F)c1Cl ZINC001237124974 1305806182 /nfs/dbraw/zinc/80/61/82/1305806182.db2.gz PZSYOAOOEKXGEG-LSDHHAIUSA-N 2 1 341.858 2.395 20 10 EECDMP COc1cc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256759 1314721945 /nfs/dbraw/zinc/72/19/45/1314721945.db2.gz JQMURZGBUDRVPN-QGZVFWFLSA-N 2 1 333.476 2.133 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)Cc3cccs3)cc2)CC1 ZINC001139409347 1314740860 /nfs/dbraw/zinc/74/08/60/1314740860.db2.gz JXQVQWDLUQOHNU-UHFFFAOYSA-N 2 1 345.512 2.494 20 10 EECDMP CC[N@@H+](CCCC(=O)OC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139409242 1314740905 /nfs/dbraw/zinc/74/09/05/1314740905.db2.gz XSNUHBLNORJQPM-UHFFFAOYSA-N 2 1 333.476 2.214 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CCOC4)C3)cc2)CC1 ZINC001140301991 1314860092 /nfs/dbraw/zinc/86/00/92/1314860092.db2.gz GXVMTSCIFQAWQB-HXUWFJFHSA-N 2 1 329.488 2.441 20 10 EECDMP CC[N@@H+](CCn1ccnc1)Cc1ccc(N2CCOCC2)cc1F ZINC001140664800 1314925359 /nfs/dbraw/zinc/92/53/59/1314925359.db2.gz SIVCLPYYPSFAFV-UHFFFAOYSA-N 2 1 332.423 2.381 20 10 EECDMP Cc1cc(N(C)C)ccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000840933889 1315439673 /nfs/dbraw/zinc/43/96/73/1315439673.db2.gz UOVVLYBQSSUPIX-IBGZPJMESA-N 2 1 346.519 2.093 20 10 EECDMP Cc1cc(N(C)C)ccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000840933889 1315439676 /nfs/dbraw/zinc/43/96/76/1315439676.db2.gz UOVVLYBQSSUPIX-IBGZPJMESA-N 2 1 346.519 2.093 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2)CC1 ZINC000843044108 1315827901 /nfs/dbraw/zinc/82/79/01/1315827901.db2.gz SZSFDWJXCKESCE-UHFFFAOYSA-N 3 1 328.504 2.155 20 10 EECDMP COc1ccc(N2CC[NH+](C[C@@H]3[C@H](C)C[NH2+]CC3(F)F)CC2)cc1 ZINC001204621762 1322197661 /nfs/dbraw/zinc/19/76/61/1322197661.db2.gz MRFLXUKJFZQFSD-RHSMWYFYSA-N 2 1 339.430 2.308 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCC(C)(C)CO)cc2F)CC1 ZINC001308282949 1331581308 /nfs/dbraw/zinc/58/13/08/1331581308.db2.gz ZTJJSISPDUQKPC-UHFFFAOYSA-N 2 1 337.483 2.466 20 10 EECDMP Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1O ZINC000808690505 812796384 /nfs/dbraw/zinc/79/63/84/812796384.db2.gz FAHYIUAONUVCTB-ZDUSSCGKSA-N 2 1 339.867 2.169 20 10 EECDMP COc1c([O-])c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490505 464120382 /nfs/dbraw/zinc/12/03/82/464120382.db2.gz ONMHBTICUBCLHW-JSGCOSHPSA-N 2 1 335.404 2.225 20 10 EECDMP COCC[NH+](CCOC)C1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000877519545 1199954585 /nfs/dbraw/zinc/95/45/85/1199954585.db2.gz LDQPBWNHNFTJGP-UHFFFAOYSA-N 2 1 336.476 2.260 20 10 EECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc2n(n1)CCC2 ZINC000883291128 1202041628 /nfs/dbraw/zinc/04/16/28/1202041628.db2.gz SZBHXFOMNGEDCI-INIZCTEOSA-N 2 1 339.487 2.432 20 10 EECDMP CCc1ccc(C[N@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c(O)c1 ZINC001274653396 1205117299 /nfs/dbraw/zinc/11/72/99/1205117299.db2.gz JUZDEUZPBOZMOW-FQEVSTJZSA-N 2 1 345.487 2.083 20 10 EECDMP COc1ccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001275276446 1205295686 /nfs/dbraw/zinc/29/56/86/1205295686.db2.gz ZGVAAPGIOWCEQG-HXUWFJFHSA-N 2 1 347.503 2.250 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(N3CCCC3)cc1)C2 ZINC001275959583 1205603312 /nfs/dbraw/zinc/60/33/12/1205603312.db2.gz DWLLGDRYNAPTDR-CTNGQTDRSA-N 2 1 342.531 2.355 20 10 EECDMP C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)CC1CC[NH+](C)CC1 ZINC000093088940 1214761956 /nfs/dbraw/zinc/76/19/56/1214761956.db2.gz SCVNTIYXNLTHCX-UHFFFAOYSA-N 2 1 335.467 2.436 20 10 EECDMP C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001328792089 1334522095 /nfs/dbraw/zinc/52/20/95/1334522095.db2.gz MHTVNIAOPJNYEX-DOTOQJQBSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328792089 1334522100 /nfs/dbraw/zinc/52/21/00/1334522100.db2.gz MHTVNIAOPJNYEX-DOTOQJQBSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328792089 1334522105 /nfs/dbraw/zinc/52/21/05/1334522105.db2.gz MHTVNIAOPJNYEX-DOTOQJQBSA-N 2 1 335.467 2.028 20 10 EECDMP CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@H]1CCC[N@H+]1C ZINC001345229009 1337431913 /nfs/dbraw/zinc/43/19/13/1337431913.db2.gz KNFDPJVJCPCWGD-QGZVFWFLSA-N 2 1 334.483 2.104 20 10 EECDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[N@@H+]1C ZINC001345229009 1337431916 /nfs/dbraw/zinc/43/19/16/1337431916.db2.gz KNFDPJVJCPCWGD-QGZVFWFLSA-N 2 1 334.483 2.104 20 10 EECDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[N@H+]1C ZINC001345229009 1337431920 /nfs/dbraw/zinc/43/19/20/1337431920.db2.gz KNFDPJVJCPCWGD-QGZVFWFLSA-N 2 1 334.483 2.104 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000817865532 785031483 /nfs/dbraw/zinc/03/14/83/785031483.db2.gz KNRUDRBXBNPHCU-AOIWGVFYSA-N 3 1 330.520 2.244 20 10 EECDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000817865532 785031493 /nfs/dbraw/zinc/03/14/93/785031493.db2.gz KNRUDRBXBNPHCU-AOIWGVFYSA-N 2 1 330.520 2.244 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H]1C[NH3+] ZINC000817865532 785031502 /nfs/dbraw/zinc/03/15/02/785031502.db2.gz KNRUDRBXBNPHCU-AOIWGVFYSA-N 2 1 330.520 2.244 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2F)CC1 ZINC000817902480 785055515 /nfs/dbraw/zinc/05/55/15/785055515.db2.gz REYUAMVDEVZQPD-AEFFLSMTSA-N 2 1 334.483 2.185 20 10 EECDMP COc1cccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1O ZINC000846144628 790073842 /nfs/dbraw/zinc/07/38/42/790073842.db2.gz JREYSICVABPRMS-OAHLLOKOSA-N 2 1 335.492 2.325 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](F)[C@@H](N)CC3)cc2)CC1 ZINC001206173741 797056845 /nfs/dbraw/zinc/05/68/45/797056845.db2.gz JVQGEQNUPHDGNA-MOPGFXCFSA-N 2 1 334.483 2.090 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823465 577232797 /nfs/dbraw/zinc/23/27/97/577232797.db2.gz CWARXCJOVSBXBV-QUCCMNQESA-N 3 1 328.504 2.155 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823465 577232799 /nfs/dbraw/zinc/23/27/99/577232799.db2.gz CWARXCJOVSBXBV-QUCCMNQESA-N 2 1 328.504 2.155 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823465 577232801 /nfs/dbraw/zinc/23/28/01/577232801.db2.gz CWARXCJOVSBXBV-QUCCMNQESA-N 2 1 328.504 2.155 20 10 EECDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771832669 577233297 /nfs/dbraw/zinc/23/32/97/577233297.db2.gz NPEDDHMRRYQLLE-QGZVFWFLSA-N 3 1 341.503 2.369 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C4OCCO4)C3)cc2)CC1 ZINC000775675425 577442467 /nfs/dbraw/zinc/44/24/67/577442467.db2.gz ZQMWWNHSBNTUNG-GOSISDBHSA-N 2 1 345.487 2.023 20 10 EECDMP CC[N@H+]1C[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775711908 577443457 /nfs/dbraw/zinc/44/34/57/577443457.db2.gz KBVLHNOTXOUWRS-ROUUACIJSA-N 2 1 330.520 2.353 20 10 EECDMP CCN1C[C@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775711908 577443458 /nfs/dbraw/zinc/44/34/58/577443458.db2.gz KBVLHNOTXOUWRS-ROUUACIJSA-N 2 1 330.520 2.353 20 10 EECDMP CCN1C[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775711908 577443459 /nfs/dbraw/zinc/44/34/59/577443459.db2.gz KBVLHNOTXOUWRS-ROUUACIJSA-N 2 1 330.520 2.353 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)cc1C ZINC000768466313 577556573 /nfs/dbraw/zinc/55/65/73/577556573.db2.gz YMILOJYCPOTOTA-WMZOPIPTSA-N 2 1 347.503 2.167 20 10 EECDMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000762790751 577707825 /nfs/dbraw/zinc/70/78/25/577707825.db2.gz FNIKHTBBRWEDJL-HXUWFJFHSA-N 2 1 342.439 2.127 20 10 EECDMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000762790751 577707826 /nfs/dbraw/zinc/70/78/26/577707826.db2.gz FNIKHTBBRWEDJL-HXUWFJFHSA-N 2 1 342.439 2.127 20 10 EECDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000763333057 577719330 /nfs/dbraw/zinc/71/93/30/577719330.db2.gz OPBMLKVAVJICKU-PKOBYXMFSA-N 2 1 331.504 2.467 20 10 EECDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531960 1199957872 /nfs/dbraw/zinc/95/78/72/1199957872.db2.gz SHOWBNGZEZQIRY-UZLBHIALSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531960 1199957875 /nfs/dbraw/zinc/95/78/75/1199957875.db2.gz SHOWBNGZEZQIRY-UZLBHIALSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531960 1199957877 /nfs/dbraw/zinc/95/78/77/1199957877.db2.gz SHOWBNGZEZQIRY-UZLBHIALSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531960 1199957879 /nfs/dbraw/zinc/95/78/79/1199957879.db2.gz SHOWBNGZEZQIRY-UZLBHIALSA-N 2 1 331.504 2.420 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)cc1C ZINC000969099753 1221807583 /nfs/dbraw/zinc/80/75/83/1221807583.db2.gz SRHCMTFHKZVZMU-QZTJIDSGSA-N 2 1 345.487 2.178 20 10 EECDMP COc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000863646458 1296363730 /nfs/dbraw/zinc/36/37/30/1296363730.db2.gz UJZSYJTYQHDEHK-RYUDHWBXSA-N 2 1 348.365 2.369 20 10 EECDMP COc1cc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1OC ZINC000863646458 1296363740 /nfs/dbraw/zinc/36/37/40/1296363740.db2.gz UJZSYJTYQHDEHK-RYUDHWBXSA-N 2 1 348.365 2.369 20 10 EECDMP c1cc(N2CCCCC2)ccc1C[N@@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497429 1299634326 /nfs/dbraw/zinc/63/43/26/1299634326.db2.gz JLIWHGKOVJTBKX-PMACEKPBSA-N 2 1 328.504 2.203 20 10 EECDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCN[C@H]2CC[NH2+]CC[C@@H]21 ZINC001222497429 1299634336 /nfs/dbraw/zinc/63/43/36/1299634336.db2.gz JLIWHGKOVJTBKX-PMACEKPBSA-N 2 1 328.504 2.203 20 10 EECDMP CCN(CC)c1ccc(C[N@@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001235005681 1305083169 /nfs/dbraw/zinc/08/31/69/1305083169.db2.gz DWVJWCGWVZQSCY-FQEVSTJZSA-N 2 1 347.503 2.440 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCOC[C@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001235005681 1305083177 /nfs/dbraw/zinc/08/31/77/1305083177.db2.gz DWVJWCGWVZQSCY-FQEVSTJZSA-N 2 1 347.503 2.440 20 10 EECDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@H](N4CC([NH3+])C4)C3)ccc2O1 ZINC001236077974 1305494734 /nfs/dbraw/zinc/49/47/34/1305494734.db2.gz BMPZKNYCCCHKRC-INIZCTEOSA-N 2 1 343.471 2.184 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1O ZINC001236931478 1305734599 /nfs/dbraw/zinc/73/45/99/1305734599.db2.gz KRWVMQWWWLQOJY-KXBFYZLASA-N 2 1 335.467 2.170 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237404644 1305921717 /nfs/dbraw/zinc/92/17/17/1305921717.db2.gz OHKVMLOMIDZYKY-CTNGQTDRSA-N 3 1 342.531 2.402 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237404644 1305921722 /nfs/dbraw/zinc/92/17/22/1305921722.db2.gz OHKVMLOMIDZYKY-CTNGQTDRSA-N 2 1 342.531 2.402 20 10 EECDMP COc1cc(C[N@H+]2CCC3(C2)CCOCC3)cc(C[NH+](C)C)c1O ZINC001139257170 1314722138 /nfs/dbraw/zinc/72/21/38/1314722138.db2.gz UGFILBPBMCVCRX-UHFFFAOYSA-N 2 1 334.460 2.465 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCO)C3)cc2)CC1 ZINC001140304060 1314862414 /nfs/dbraw/zinc/86/24/14/1314862414.db2.gz GSXNTTLAYIRDHR-SFHVURJKSA-N 2 1 331.504 2.423 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3C3CCC3)cc2)CC1 ZINC000843429078 1315912822 /nfs/dbraw/zinc/91/28/22/1315912822.db2.gz RHMAESLCWQUMFN-HXUWFJFHSA-N 2 1 329.488 2.439 20 10 EECDMP C[C@H]1C[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001254051870 1317992637 /nfs/dbraw/zinc/99/26/37/1317992637.db2.gz GCOGVRWUAGYXBA-RDJZCZTQSA-N 2 1 335.467 2.482 20 10 EECDMP C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001330333710 1334824771 /nfs/dbraw/zinc/82/47/71/1334824771.db2.gz IHNCQQWWORMZNP-BEFAXECRSA-N 2 1 335.467 2.218 20 10 EECDMP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000788593150 807598317 /nfs/dbraw/zinc/59/83/17/807598317.db2.gz FJQLBQOEKGADHQ-HOTGVXAUSA-N 2 1 333.476 2.247 20 10 EECDMP COc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377622026 467098697 /nfs/dbraw/zinc/09/86/97/467098697.db2.gz GROPTZPSDQFMGY-KRWDZBQOSA-N 2 1 333.476 2.001 20 10 EECDMP C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000876598002 1199685604 /nfs/dbraw/zinc/68/56/04/1199685604.db2.gz SUAURVQLCHXERC-GOSISDBHSA-N 2 1 331.504 2.421 20 10 EECDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000876598002 1199685615 /nfs/dbraw/zinc/68/56/15/1199685615.db2.gz SUAURVQLCHXERC-GOSISDBHSA-N 2 1 331.504 2.421 20 10 EECDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876598002 1199685619 /nfs/dbraw/zinc/68/56/19/1199685619.db2.gz SUAURVQLCHXERC-GOSISDBHSA-N 2 1 331.504 2.421 20 10 EECDMP Oc1ccc(O)c(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275419215 1205351834 /nfs/dbraw/zinc/35/18/34/1205351834.db2.gz SPUKOJZYLKSJPY-UHFFFAOYSA-N 2 1 342.443 2.309 20 10 EECDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001275913123 1205582997 /nfs/dbraw/zinc/58/29/97/1205582997.db2.gz IJRADMSBXCQFED-LJQANCHMSA-N 2 1 335.467 2.381 20 10 EECDMP CCc1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276804378 1297995406 /nfs/dbraw/zinc/99/54/06/1297995406.db2.gz BBOPGVXZHMVQAE-UHFFFAOYSA-N 2 1 331.504 2.414 20 10 EECDMP CCN(CC)c1ccc(CN2CC[NH2+][C@H]3CC[NH2+]CC[C@@H]32)c(OC)c1 ZINC001222497415 1299633830 /nfs/dbraw/zinc/63/38/30/1299633830.db2.gz IQSLIZDVZSPRTA-OALUTQOASA-N 2 1 346.519 2.067 20 10 EECDMP CC[NH+]1CCN(c2ccc(O[C@H]3CCc4[nH+]ccn4C3)cc2)CC1 ZINC001234661138 1305003376 /nfs/dbraw/zinc/00/33/76/1305003376.db2.gz QAPQPKJKRUXQRY-SFHVURJKSA-N 2 1 326.444 2.419 20 10 EECDMP CCc1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCOC)CCO[C@@H]3C2)c(O)c1 ZINC001236786119 1305676214 /nfs/dbraw/zinc/67/62/14/1305676214.db2.gz DFXYXQUCXIXAJC-UYAOXDASSA-N 2 1 348.487 2.124 20 10 EECDMP CCc1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCOC)CCO[C@@H]3C2)c(O)c1 ZINC001236786119 1305676218 /nfs/dbraw/zinc/67/62/18/1305676218.db2.gz DFXYXQUCXIXAJC-UYAOXDASSA-N 2 1 348.487 2.124 20 10 EECDMP CCc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)c(O)c1 ZINC001236786119 1305676222 /nfs/dbraw/zinc/67/62/22/1305676222.db2.gz DFXYXQUCXIXAJC-UYAOXDASSA-N 2 1 348.487 2.124 20 10 EECDMP C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3F)C[C@H]12 ZINC001236943828 1305740939 /nfs/dbraw/zinc/74/09/39/1305740939.db2.gz WMWXVFRGKQRWPS-LSBZLQRGSA-N 2 1 333.451 2.044 20 10 EECDMP COc1cc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)cc(C[NH+](C)C)c1O ZINC001139255083 1314721848 /nfs/dbraw/zinc/72/18/48/1314721848.db2.gz MNCQBDBPYAWXJQ-IBGZPJMESA-N 2 1 336.476 2.445 20 10 EECDMP COc1cc(CN2CCC[N@H+]3CCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256791 1314722037 /nfs/dbraw/zinc/72/20/37/1314722037.db2.gz KPCODULCHACJKH-QGZVFWFLSA-N 2 1 333.476 2.133 20 10 EECDMP COc1cc(C[NH+]2CC(c3cccnc3)C2)cc(C[NH+](C)C)c1O ZINC001139258233 1314722778 /nfs/dbraw/zinc/72/27/78/1314722778.db2.gz NGMHHTISBVCYAN-UHFFFAOYSA-N 2 1 327.428 2.457 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](F)(CO)CC3)cc2)CC1 ZINC001139408215 1314740239 /nfs/dbraw/zinc/74/02/39/1314740239.db2.gz JPUMQZFQELCBKN-IBGZPJMESA-N 2 1 335.467 2.125 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+](C)Cc3cnccn3)cc2)CC1 ZINC001140304720 1314862675 /nfs/dbraw/zinc/86/26/75/1314862675.db2.gz ZMDMLFXDVNJBCN-UHFFFAOYSA-N 2 1 325.460 2.251 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3cnccn3)cc2)CC1 ZINC001140304720 1314862682 /nfs/dbraw/zinc/86/26/82/1314862682.db2.gz ZMDMLFXDVNJBCN-UHFFFAOYSA-N 2 1 325.460 2.251 20 10 EECDMP COc1c(O)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000843128286 1315850028 /nfs/dbraw/zinc/85/00/28/1315850028.db2.gz VQVFYENXRIPWDL-CYBMUJFWSA-N 2 1 335.404 2.131 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C ZINC001164577477 1321424275 /nfs/dbraw/zinc/42/42/75/1321424275.db2.gz NQDWYFPRTUPEAA-WMZOPIPTSA-N 2 1 347.503 2.330 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@@H]1C[NH3+] ZINC001206003158 1323367190 /nfs/dbraw/zinc/36/71/90/1323367190.db2.gz FMKJYNQBEACAAP-HZPDHXFCSA-N 2 1 335.467 2.469 20 10 EECDMP CC(C)[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@H]1CCC[NH2+]CC1 ZINC001206598721 1323542034 /nfs/dbraw/zinc/54/20/34/1323542034.db2.gz LPDCZDPLCOFZSO-KRWDZBQOSA-N 3 1 333.476 2.227 20 10 EECDMP CC(C)[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)[C@H]1CCC[NH2+]CC1 ZINC001206598721 1323542039 /nfs/dbraw/zinc/54/20/39/1323542039.db2.gz LPDCZDPLCOFZSO-KRWDZBQOSA-N 2 1 333.476 2.227 20 10 EECDMP CC(C)[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)[C@H]1CCC[NH2+]CC1 ZINC001206598721 1323542042 /nfs/dbraw/zinc/54/20/42/1323542042.db2.gz LPDCZDPLCOFZSO-KRWDZBQOSA-N 2 1 333.476 2.227 20 10 EECDMP C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320424904 1332880772 /nfs/dbraw/zinc/88/07/72/1332880772.db2.gz UENVBYPQEFWOJQ-JKSUJKDBSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320424904 1332880774 /nfs/dbraw/zinc/88/07/74/1332880774.db2.gz UENVBYPQEFWOJQ-JKSUJKDBSA-N 2 1 334.483 2.102 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CO)CC3)cc2F)CC1 ZINC001324291566 1333650581 /nfs/dbraw/zinc/65/05/81/1333650581.db2.gz RKAMKONJHIGPTA-INIZCTEOSA-N 2 1 335.467 2.172 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CO)CC3)cc2F)CC1 ZINC001324291566 1333650587 /nfs/dbraw/zinc/65/05/87/1333650587.db2.gz RKAMKONJHIGPTA-INIZCTEOSA-N 2 1 335.467 2.172 20 10 EECDMP CCC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCN(C)C1 ZINC001328522029 1334473716 /nfs/dbraw/zinc/47/37/16/1334473716.db2.gz IZTRRPCIXUXNHE-GOSISDBHSA-N 2 1 348.510 2.494 20 10 EECDMP CCC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCN(C)C1 ZINC001328522029 1334473720 /nfs/dbraw/zinc/47/37/20/1334473720.db2.gz IZTRRPCIXUXNHE-GOSISDBHSA-N 2 1 348.510 2.494 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[N@@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001337026122 1336632700 /nfs/dbraw/zinc/63/27/00/1336632700.db2.gz MQJMSRCMABNCHH-GOSISDBHSA-N 2 1 346.494 2.248 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001337026122 1336632701 /nfs/dbraw/zinc/63/27/01/1336632701.db2.gz MQJMSRCMABNCHH-GOSISDBHSA-N 2 1 346.494 2.248 20 10 EECDMP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000788593149 807598357 /nfs/dbraw/zinc/59/83/57/807598357.db2.gz FJQLBQOEKGADHQ-CVEARBPZSA-N 2 1 333.476 2.247 20 10 EECDMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000762073882 577694443 /nfs/dbraw/zinc/69/44/43/577694443.db2.gz KVCDGSKCSBTSJB-QGZVFWFLSA-N 2 1 345.443 2.489 20 10 EECDMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000762073882 577694444 /nfs/dbraw/zinc/69/44/44/577694444.db2.gz KVCDGSKCSBTSJB-QGZVFWFLSA-N 2 1 345.443 2.489 20 10 EECDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000763333051 577719320 /nfs/dbraw/zinc/71/93/20/577719320.db2.gz OPBMLKVAVJICKU-IEBWSBKVSA-N 2 1 331.504 2.467 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cc1C ZINC001020586475 675218074 /nfs/dbraw/zinc/21/80/74/675218074.db2.gz OVAPGRLCBTYWSR-KBAYOESNSA-N 2 1 345.487 2.225 20 10 EECDMP CCOc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c1O ZINC001275271430 1205295464 /nfs/dbraw/zinc/29/54/64/1205295464.db2.gz UZTZGZBMKTYYKY-CALCHBBNSA-N 2 1 333.476 2.001 20 10 EECDMP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1C(F)(F)F ZINC000863646772 1296364608 /nfs/dbraw/zinc/36/46/08/1296364608.db2.gz NZGPHHHIRAFVMK-WDEREUQCSA-N 2 1 332.322 2.080 20 10 EECDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@H]1C(F)(F)F ZINC000863646772 1296364621 /nfs/dbraw/zinc/36/46/21/1296364621.db2.gz NZGPHHHIRAFVMK-WDEREUQCSA-N 2 1 332.322 2.080 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c(OC)c1 ZINC001222091320 1299341954 /nfs/dbraw/zinc/34/19/54/1299341954.db2.gz QIKRLMTUKJJZPZ-UHFFFAOYSA-N 2 1 346.519 2.069 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302499 1314861370 /nfs/dbraw/zinc/86/13/70/1314861370.db2.gz SJSIJYIYIXGQLI-PXNSSMCTSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[C@@H]4C[N@@H+](C)C[C@H]43)cc2)CC1 ZINC001140304660 1314861957 /nfs/dbraw/zinc/86/19/57/1314861957.db2.gz XPXNSGWTBJECOQ-TZIWHRDSSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4CN(C)C[C@H]43)cc2)CC1 ZINC001140304660 1314861960 /nfs/dbraw/zinc/86/19/60/1314861960.db2.gz XPXNSGWTBJECOQ-TZIWHRDSSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4CN(C)C[C@H]43)cc2)CC1 ZINC001140304660 1314861963 /nfs/dbraw/zinc/86/19/63/1314861963.db2.gz XPXNSGWTBJECOQ-TZIWHRDSSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC001140309580 1314864658 /nfs/dbraw/zinc/86/46/58/1314864658.db2.gz MITFGIFGTUOXQG-HXUWFJFHSA-N 2 1 329.488 2.439 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@H]([N@@H+](C)C4CC4)C3)cc2)CC1 ZINC001140309470 1314864761 /nfs/dbraw/zinc/86/47/61/1314864761.db2.gz HUCOJJRNZNCNTO-NRFANRHFSA-N 2 1 342.531 2.497 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](N(C)C4CC4)C3)cc2)CC1 ZINC001140309470 1314864765 /nfs/dbraw/zinc/86/47/65/1314864765.db2.gz HUCOJJRNZNCNTO-NRFANRHFSA-N 2 1 342.531 2.497 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](N(C)C4CC4)C3)cc2)CC1 ZINC001140309470 1314864771 /nfs/dbraw/zinc/86/47/71/1314864771.db2.gz HUCOJJRNZNCNTO-NRFANRHFSA-N 2 1 342.531 2.497 20 10 EECDMP C[N@@H+](CCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000835063967 1314896481 /nfs/dbraw/zinc/89/64/81/1314896481.db2.gz SIPOGMVRLKZTHW-UHFFFAOYSA-N 3 1 330.520 2.402 20 10 EECDMP CN1CCN(c2ccc(C[NH2+]CCCC[N@H+](C)C3CC3)cc2)CC1 ZINC000835063967 1314896486 /nfs/dbraw/zinc/89/64/86/1314896486.db2.gz SIPOGMVRLKZTHW-UHFFFAOYSA-N 2 1 330.520 2.402 20 10 EECDMP CN1CCN(c2ccc(C[NH2+]CCCC[N@@H+](C)C3CC3)cc2)CC1 ZINC000835063967 1314896491 /nfs/dbraw/zinc/89/64/91/1314896491.db2.gz SIPOGMVRLKZTHW-UHFFFAOYSA-N 2 1 330.520 2.402 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2)CC1 ZINC000843127906 1315849695 /nfs/dbraw/zinc/84/96/95/1315849695.db2.gz UIJIGSRSCSDRRA-UHFFFAOYSA-N 2 1 328.504 2.014 20 10 EECDMP CCN(CC)c1ccc(C[N@@H+]2CCC(=O)N(CC[NH+](C)C)CC2)cc1 ZINC001203941673 1321995579 /nfs/dbraw/zinc/99/55/79/1321995579.db2.gz FCACUEGGMHBAMJ-UHFFFAOYSA-N 2 1 346.519 2.129 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[C@@H]([NH+]4CCCC4)C3)cc2F)CC1 ZINC001337026127 1336632653 /nfs/dbraw/zinc/63/26/53/1336632653.db2.gz MVCJNGYEKIWMBM-GOSISDBHSA-N 2 1 346.494 2.248 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[C@H]1O ZINC001337065828 1336638860 /nfs/dbraw/zinc/63/88/60/1336638860.db2.gz UGOOLYNUZPGXMK-VQIMIIECSA-N 2 1 335.467 2.170 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[C@H]1O ZINC001337065828 1336638863 /nfs/dbraw/zinc/63/88/63/1336638863.db2.gz UGOOLYNUZPGXMK-VQIMIIECSA-N 2 1 335.467 2.170 20 10 EECDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765621 783369326 /nfs/dbraw/zinc/36/93/26/783369326.db2.gz PPCOYWJRJQYIAI-CRAIPNDOSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765621 783369342 /nfs/dbraw/zinc/36/93/42/783369342.db2.gz PPCOYWJRJQYIAI-CRAIPNDOSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765621 783369353 /nfs/dbraw/zinc/36/93/53/783369353.db2.gz PPCOYWJRJQYIAI-CRAIPNDOSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765621 783369365 /nfs/dbraw/zinc/36/93/65/783369365.db2.gz PPCOYWJRJQYIAI-CRAIPNDOSA-N 2 1 335.467 2.434 20 10 EECDMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765211 783370551 /nfs/dbraw/zinc/37/05/51/783370551.db2.gz LJXZUUGRXCLWBL-YLJYHZDGSA-N 2 1 330.520 2.210 20 10 EECDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765211 783370557 /nfs/dbraw/zinc/37/05/57/783370557.db2.gz LJXZUUGRXCLWBL-YLJYHZDGSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765211 783370564 /nfs/dbraw/zinc/37/05/64/783370564.db2.gz LJXZUUGRXCLWBL-YLJYHZDGSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765211 783370574 /nfs/dbraw/zinc/37/05/74/783370574.db2.gz LJXZUUGRXCLWBL-YLJYHZDGSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765211 783370583 /nfs/dbraw/zinc/37/05/83/783370583.db2.gz LJXZUUGRXCLWBL-YLJYHZDGSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1CC[NH3+] ZINC000844902035 789443358 /nfs/dbraw/zinc/44/33/58/789443358.db2.gz NCIMFLJXWUIXKL-FXAWDEMLSA-N 3 1 330.520 2.388 20 10 EECDMP C[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1CC[NH3+] ZINC000844902035 789443361 /nfs/dbraw/zinc/44/33/61/789443361.db2.gz NCIMFLJXWUIXKL-FXAWDEMLSA-N 2 1 330.520 2.388 20 10 EECDMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1CC[NH3+] ZINC000844902035 789443366 /nfs/dbraw/zinc/44/33/66/789443366.db2.gz NCIMFLJXWUIXKL-FXAWDEMLSA-N 2 1 330.520 2.388 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1C ZINC001130190017 811284024 /nfs/dbraw/zinc/28/40/24/811284024.db2.gz VHVMQSNBQUHKSB-MSOLQXFVSA-N 2 1 345.487 2.226 20 10 EECDMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000794806299 1198050015 /nfs/dbraw/zinc/05/00/15/1198050015.db2.gz HCDOEKCECKOWNW-RDJZCZTQSA-N 2 1 333.476 2.329 20 10 EECDMP C[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000876598003 1199686306 /nfs/dbraw/zinc/68/63/06/1199686306.db2.gz SUAURVQLCHXERC-SFHVURJKSA-N 2 1 331.504 2.421 20 10 EECDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000876598003 1199686311 /nfs/dbraw/zinc/68/63/11/1199686311.db2.gz SUAURVQLCHXERC-SFHVURJKSA-N 2 1 331.504 2.421 20 10 EECDMP C[NH+](Cc1ccc(N2CCC(O)CC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000876598003 1199686315 /nfs/dbraw/zinc/68/63/15/1199686315.db2.gz SUAURVQLCHXERC-SFHVURJKSA-N 2 1 331.504 2.421 20 10 EECDMP CC[C@H]([NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000925776429 1206153174 /nfs/dbraw/zinc/15/31/74/1206153174.db2.gz GPFZXOJSYWHRMO-OALUTQOASA-N 2 1 344.503 2.009 20 10 EECDMP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)cc1C ZINC001044959921 1233404909 /nfs/dbraw/zinc/40/49/09/1233404909.db2.gz PPCCDVIEUFFUDS-ROUUACIJSA-N 2 1 345.487 2.178 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272339 1299449899 /nfs/dbraw/zinc/44/98/99/1299449899.db2.gz RMGFAAKQIKMTJX-FQEVSTJZSA-N 3 1 328.504 2.062 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1CN1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222272339 1299449902 /nfs/dbraw/zinc/44/99/02/1299449902.db2.gz RMGFAAKQIKMTJX-FQEVSTJZSA-N 2 1 328.504 2.062 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2)CC1 ZINC001140306194 1314863313 /nfs/dbraw/zinc/86/33/13/1314863313.db2.gz OMXGXLMWOIQORC-OAQYLSRUSA-N 3 1 342.531 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc2)CC1 ZINC001140306194 1314863320 /nfs/dbraw/zinc/86/33/20/1314863320.db2.gz OMXGXLMWOIQORC-OAQYLSRUSA-N 3 1 342.531 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2)CC1 ZINC001140306194 1314863326 /nfs/dbraw/zinc/86/33/26/1314863326.db2.gz OMXGXLMWOIQORC-OAQYLSRUSA-N 3 1 342.531 2.356 20 10 EECDMP CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841019671 1315455938 /nfs/dbraw/zinc/45/59/38/1315455938.db2.gz MZGKNBWMMPBJOT-MRXNPFEDSA-N 2 1 333.476 2.192 20 10 EECDMP CC[NH2+]CC1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000843055247 1315830964 /nfs/dbraw/zinc/83/09/64/1315830964.db2.gz HQILIWYHGYZLDR-UHFFFAOYSA-N 2 1 330.520 2.260 20 10 EECDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159334873 1319745679 /nfs/dbraw/zinc/74/56/79/1319745679.db2.gz KUWRRBAUABLEMA-GOSISDBHSA-N 2 1 347.503 2.474 20 10 EECDMP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205690590 1323247790 /nfs/dbraw/zinc/24/77/90/1323247790.db2.gz WCISPOIGRNJEQS-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP Cc1cc(Br)cc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c1O ZINC001205690590 1323247792 /nfs/dbraw/zinc/24/77/92/1323247792.db2.gz WCISPOIGRNJEQS-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC3CCOCC3)cc2F)CC1 ZINC001318553319 1332559515 /nfs/dbraw/zinc/55/95/15/1332559515.db2.gz TXZLGNAGVNBWNQ-UHFFFAOYSA-N 2 1 335.467 2.484 20 10 EECDMP CC(=O)OC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001323312058 1333438448 /nfs/dbraw/zinc/43/84/48/1333438448.db2.gz ZDRUMLGWRFJNGT-UHFFFAOYSA-N 2 1 349.450 2.105 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2F)CC1 ZINC001328413409 1334456129 /nfs/dbraw/zinc/45/61/29/1334456129.db2.gz QXZZEHMIGVTFLF-MRXNPFEDSA-N 2 1 334.483 2.138 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cc2F)CC1 ZINC001328413409 1334456132 /nfs/dbraw/zinc/45/61/32/1334456132.db2.gz QXZZEHMIGVTFLF-MRXNPFEDSA-N 3 1 334.483 2.138 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2F)CC1 ZINC001328413409 1334456134 /nfs/dbraw/zinc/45/61/34/1334456134.db2.gz QXZZEHMIGVTFLF-MRXNPFEDSA-N 3 1 334.483 2.138 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2F)CC1 ZINC000817902481 785055251 /nfs/dbraw/zinc/05/52/51/785055251.db2.gz REYUAMVDEVZQPD-FUHWJXTLSA-N 2 1 334.483 2.185 20 10 EECDMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c2nccn21 ZINC000825017763 788396649 /nfs/dbraw/zinc/39/66/49/788396649.db2.gz YUWBMWWNTICMTG-QAPCUYQASA-N 2 1 325.460 2.431 20 10 EECDMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844225006 788915324 /nfs/dbraw/zinc/91/53/24/788915324.db2.gz SYYJRXABWBGQBN-RYRKJORJSA-N 2 1 346.519 2.016 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844225006 788915329 /nfs/dbraw/zinc/91/53/29/788915329.db2.gz SYYJRXABWBGQBN-RYRKJORJSA-N 2 1 346.519 2.016 20 10 EECDMP Oc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)[C@H](O)CO2 ZINC000768466126 577556600 /nfs/dbraw/zinc/55/66/00/577556600.db2.gz MPLOORZIJUGFMG-KBXCAEBGSA-N 2 1 332.444 2.126 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)[C@H](O)CO2 ZINC000768466126 577556601 /nfs/dbraw/zinc/55/66/01/577556601.db2.gz MPLOORZIJUGFMG-KBXCAEBGSA-N 2 1 332.444 2.126 20 10 EECDMP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000891246881 676240338 /nfs/dbraw/zinc/24/03/38/676240338.db2.gz QRAKYHKBFJRKOU-ROUUACIJSA-N 2 1 346.519 2.344 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000876934658 1199823645 /nfs/dbraw/zinc/82/36/45/1199823645.db2.gz HZUHUARKTJVYHH-PMACEKPBSA-N 2 1 329.488 2.364 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000876934658 1199823649 /nfs/dbraw/zinc/82/36/49/1199823649.db2.gz HZUHUARKTJVYHH-PMACEKPBSA-N 2 1 329.488 2.364 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236598154 1305607595 /nfs/dbraw/zinc/60/75/95/1305607595.db2.gz HNZOUVIXKHTYPI-GOSISDBHSA-N 3 1 328.504 2.060 20 10 EECDMP CC[NH+](CC)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116439944 1305883538 /nfs/dbraw/zinc/88/35/38/1305883538.db2.gz YULHUJQZJXPNRH-SFHVURJKSA-N 2 1 348.510 2.494 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256110 1314721918 /nfs/dbraw/zinc/72/19/18/1314721918.db2.gz UCWPKCIWVKXMEA-YJBOKZPZSA-N 2 1 334.460 2.463 20 10 EECDMP C[N@@H+](C1CC1)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410863 1314740619 /nfs/dbraw/zinc/74/06/19/1314740619.db2.gz ITBLWDLAGOAKCF-HXUWFJFHSA-N 2 1 328.504 2.107 20 10 EECDMP CN(C1CC1)[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410863 1314740621 /nfs/dbraw/zinc/74/06/21/1314740621.db2.gz ITBLWDLAGOAKCF-HXUWFJFHSA-N 2 1 328.504 2.107 20 10 EECDMP CN(C1CC1)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410863 1314740626 /nfs/dbraw/zinc/74/06/26/1314740626.db2.gz ITBLWDLAGOAKCF-HXUWFJFHSA-N 2 1 328.504 2.107 20 10 EECDMP C[N@@H+](C1CC1)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139410722 1314740925 /nfs/dbraw/zinc/74/09/25/1314740925.db2.gz AQPCLYFYJYXWSW-UHFFFAOYSA-N 2 1 342.531 2.497 20 10 EECDMP COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H]1C ZINC001139412116 1314741707 /nfs/dbraw/zinc/74/17/07/1314741707.db2.gz FWVXEAKEXJNJBJ-LPHOPBHVSA-N 2 1 345.487 2.212 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3CO)cc2)CC1 ZINC001140302662 1314861289 /nfs/dbraw/zinc/86/12/89/1314861289.db2.gz WZMDFGDSXHTAEN-YLJYHZDGSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+]1C[C@H]2CN(Cc3ccc(N4CC[NH+](CC)CC4)cc3)C[C@@H]2C1 ZINC001140309655 1314864748 /nfs/dbraw/zinc/86/47/48/1314864748.db2.gz PCJHWAGSGGOCSG-PMACEKPBSA-N 2 1 342.531 2.212 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)CC1 ZINC000843054581 1315830498 /nfs/dbraw/zinc/83/04/98/1315830498.db2.gz UVSMPPHBNZFDBW-UHFFFAOYSA-N 3 1 342.531 2.402 20 10 EECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125762 1315849309 /nfs/dbraw/zinc/84/93/09/1315849309.db2.gz HKBCQFNHHQUEGU-RBUKOAKNSA-N 2 1 329.488 2.345 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3C)C2)cc(O)c1O ZINC001204349828 1322123502 /nfs/dbraw/zinc/12/35/02/1322123502.db2.gz BYTBRFWJFYHEGH-CQSZACIVSA-N 2 1 330.384 2.463 20 10 EECDMP COc1cc(CN2CC[C@@H](Oc3ccncc3C)C2)cc(O)c1O ZINC001204349828 1322123508 /nfs/dbraw/zinc/12/35/08/1322123508.db2.gz BYTBRFWJFYHEGH-CQSZACIVSA-N 2 1 330.384 2.463 20 10 EECDMP COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)c2c1 ZINC001205239439 1322325610 /nfs/dbraw/zinc/32/56/10/1322325610.db2.gz BGNLZWYVRJGDRQ-IBGZPJMESA-N 2 1 330.428 2.230 20 10 EECDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@@H]1F ZINC001206164959 1323409466 /nfs/dbraw/zinc/40/94/66/1323409466.db2.gz LSOZAYPLEQWXSD-DLBZAZTESA-N 2 1 333.451 2.352 20 10 EECDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC001206588965 1323539240 /nfs/dbraw/zinc/53/92/40/1323539240.db2.gz DUPDFABQEBQMDT-HXUWFJFHSA-N 3 1 330.520 2.449 20 10 EECDMP C[NH2+]C[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001345944568 1337476646 /nfs/dbraw/zinc/47/66/46/1337476646.db2.gz RTMTZCGHNUZDTE-KRWDZBQOSA-N 2 1 334.483 2.009 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](CO)CC3CC3)cc2F)CC1 ZINC001118484659 1371784716 /nfs/dbraw/zinc/78/47/16/1371784716.db2.gz RVBBYNVAGQNFJX-KRWDZBQOSA-N 2 1 335.467 2.076 20 10 EECDMP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000817973754 785125480 /nfs/dbraw/zinc/12/54/80/785125480.db2.gz VYGAYCGBGQEJRU-YGRLFVJLSA-N 2 1 335.345 2.018 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)CC(C)(C)C3)cc2)CC1 ZINC000825091475 788437642 /nfs/dbraw/zinc/43/76/42/788437642.db2.gz ZYMQZIUJUAWFHR-LJQANCHMSA-N 2 1 331.504 2.421 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC000998731249 793317243 /nfs/dbraw/zinc/31/72/43/793317243.db2.gz MNUVUCUTACSSOD-QZTJIDSGSA-N 2 1 345.487 2.178 20 10 EECDMP C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370710815 466974637 /nfs/dbraw/zinc/97/46/37/466974637.db2.gz UUCKILJJHLBOCR-LPHOPBHVSA-N 2 1 348.510 2.350 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370710815 466974641 /nfs/dbraw/zinc/97/46/41/466974641.db2.gz UUCKILJJHLBOCR-LPHOPBHVSA-N 2 1 348.510 2.350 20 10 EECDMP COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776001044 577450392 /nfs/dbraw/zinc/45/03/92/577450392.db2.gz OJNNLPYAFPGMQU-LPHOPBHVSA-N 2 1 345.487 2.212 20 10 EECDMP COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776001044 577450393 /nfs/dbraw/zinc/45/03/93/577450393.db2.gz OJNNLPYAFPGMQU-LPHOPBHVSA-N 2 1 345.487 2.212 20 10 EECDMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)cc1C ZINC000768463457 577556344 /nfs/dbraw/zinc/55/63/44/577556344.db2.gz UDOUAHQHKQWKIC-JTDSTZFVSA-N 2 1 334.460 2.393 20 10 EECDMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449320 693319516 /nfs/dbraw/zinc/31/95/16/693319516.db2.gz BCKCOTKDPASRDU-CDHQVMDDSA-N 2 1 330.520 2.428 20 10 EECDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449320 693319520 /nfs/dbraw/zinc/31/95/20/693319520.db2.gz BCKCOTKDPASRDU-CDHQVMDDSA-N 2 1 330.520 2.428 20 10 EECDMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000827544610 1248408303 /nfs/dbraw/zinc/40/83/03/1248408303.db2.gz GGWUDOBUILKEDS-QFBILLFUSA-N 2 1 345.487 2.069 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C(C)(C)O)c(F)c2)CC1 ZINC001236942380 1305738407 /nfs/dbraw/zinc/73/84/07/1305738407.db2.gz IZOBSAPQHPZKMW-GOSISDBHSA-N 2 1 335.467 2.313 20 10 EECDMP CC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236939401 1305739680 /nfs/dbraw/zinc/73/96/80/1305739680.db2.gz QMMBTUHTBJXMTQ-INIZCTEOSA-N 2 1 333.451 2.379 20 10 EECDMP COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC001139410808 1314741196 /nfs/dbraw/zinc/74/11/96/1314741196.db2.gz FWVXEAKEXJNJBJ-VQIMIIECSA-N 2 1 345.487 2.212 20 10 EECDMP CN(C)c1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c(C(F)(F)F)c1 ZINC000841086855 1315471488 /nfs/dbraw/zinc/47/14/88/1315471488.db2.gz PMEJTQZHMUAQKE-CQSZACIVSA-N 2 1 331.382 2.240 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1C[NH3+] ZINC001205627414 1323220842 /nfs/dbraw/zinc/22/08/42/1323220842.db2.gz PKGGOISRAFHVLX-HOTGVXAUSA-N 2 1 335.467 2.469 20 10 EECDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210493712 1325308800 /nfs/dbraw/zinc/30/88/00/1325308800.db2.gz NZTKNDMYGDCGJK-SFHVURJKSA-N 2 1 347.503 2.426 20 10 EECDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]21 ZINC001140287576 1372557604 /nfs/dbraw/zinc/55/76/04/1372557604.db2.gz YXIOYXMKSSDPAR-YLJYHZDGSA-N 2 1 329.488 2.174 20 10 EECDMP CCN(CC[NH3+])C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001577718803 1403672157 /nfs/dbraw/zinc/67/21/57/1403672157.db2.gz OZRFLBRGFWLIHG-UHFFFAOYSA-N 2 1 342.487 2.215 20 10 EECDMP COCC[NH+](CCOC)C1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000289266644 464072834 /nfs/dbraw/zinc/07/28/34/464072834.db2.gz GANUEBHNDHMSPM-UHFFFAOYSA-N 2 1 336.476 2.260 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(C)(C)O)C3)cc2)CC1 ZINC000877797338 1200113301 /nfs/dbraw/zinc/11/33/01/1200113301.db2.gz UEQMMVSIKZNSSH-GOSISDBHSA-N 2 1 331.504 2.421 20 10 EECDMP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000779052220 1208480113 /nfs/dbraw/zinc/48/01/13/1208480113.db2.gz ONATXZJBYYSVNJ-IAQYHMDHSA-N 2 1 343.265 2.180 20 10 EECDMP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000779052220 1208480115 /nfs/dbraw/zinc/48/01/15/1208480115.db2.gz ONATXZJBYYSVNJ-IAQYHMDHSA-N 2 1 343.265 2.180 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC001018867675 1228470845 /nfs/dbraw/zinc/47/08/45/1228470845.db2.gz UCWUXIVEJZNXSN-BPQIPLTHSA-N 2 1 345.487 2.034 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CCC[NH2+]C4)C3)cc2)CC1 ZINC001222265470 1299446093 /nfs/dbraw/zinc/44/60/93/1299446093.db2.gz UCMJGEKYNOVHGH-OAQYLSRUSA-N 3 1 342.531 2.404 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[C@@]4(CCC[NH2+]C4)C3)cc2)CC1 ZINC001222265470 1299446098 /nfs/dbraw/zinc/44/60/98/1299446098.db2.gz UCMJGEKYNOVHGH-OAQYLSRUSA-N 2 1 342.531 2.404 20 10 EECDMP Cc1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1O ZINC001231592956 1303859470 /nfs/dbraw/zinc/85/94/70/1303859470.db2.gz QRMGDEPCGKECPM-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1O ZINC001231592956 1303859472 /nfs/dbraw/zinc/85/94/72/1303859472.db2.gz QRMGDEPCGKECPM-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1O ZINC001231592956 1303859475 /nfs/dbraw/zinc/85/94/75/1303859475.db2.gz QRMGDEPCGKECPM-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1O ZINC001231592956 1303859477 /nfs/dbraw/zinc/85/94/77/1303859477.db2.gz QRMGDEPCGKECPM-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP CCOC(=O)c1c(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc2n1C ZINC001235938978 1305451879 /nfs/dbraw/zinc/45/18/79/1305451879.db2.gz NIGPWMBYVGDESR-LSDHHAIUSA-N 2 1 341.455 2.396 20 10 EECDMP CCOC(=O)c1c(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)c2ccccc2n1C ZINC001235938978 1305451886 /nfs/dbraw/zinc/45/18/86/1305451886.db2.gz NIGPWMBYVGDESR-LSDHHAIUSA-N 2 1 341.455 2.396 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCN(C)C(C)(C)C3)cc2)CC1 ZINC001140306051 1314863117 /nfs/dbraw/zinc/86/31/17/1314863117.db2.gz MHQWLEPSKMZYFM-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC001140306051 1314863121 /nfs/dbraw/zinc/86/31/21/1314863121.db2.gz MHQWLEPSKMZYFM-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)C(C)(C)C3)cc2)CC1 ZINC001140306051 1314863125 /nfs/dbraw/zinc/86/31/25/1314863125.db2.gz MHQWLEPSKMZYFM-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP CN1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727247 1317494058 /nfs/dbraw/zinc/49/40/58/1317494058.db2.gz QEKVVQDOSPNONO-ROUUACIJSA-N 3 1 346.494 2.294 20 10 EECDMP Oc1ccccc1C[N@@H+]1CCc2nnc(CN3CCCCC3)n2CC1 ZINC001203556347 1321911615 /nfs/dbraw/zinc/91/16/15/1321911615.db2.gz NFXNGLJHCPAXDE-UHFFFAOYSA-N 2 1 341.459 2.028 20 10 EECDMP Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205248704 1322330600 /nfs/dbraw/zinc/33/06/00/1322330600.db2.gz RONFXFOZWNMMBB-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1 ZINC001205248704 1322330609 /nfs/dbraw/zinc/33/06/09/1322330609.db2.gz RONFXFOZWNMMBB-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1F ZINC001206185641 1323418771 /nfs/dbraw/zinc/41/87/71/1323418771.db2.gz OOEGJYIJNLFZSR-HOTGVXAUSA-N 2 1 341.858 2.438 20 10 EECDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1F ZINC001206185641 1323418776 /nfs/dbraw/zinc/41/87/76/1323418776.db2.gz OOEGJYIJNLFZSR-HOTGVXAUSA-N 2 1 341.858 2.438 20 10 EECDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1O)C2 ZINC001276537403 1323998673 /nfs/dbraw/zinc/99/86/73/1323998673.db2.gz GPLOWRUQBUNRRE-IBGZPJMESA-N 2 1 335.467 2.381 20 10 EECDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001276537403 1323998677 /nfs/dbraw/zinc/99/86/77/1323998677.db2.gz GPLOWRUQBUNRRE-IBGZPJMESA-N 2 1 335.467 2.381 20 10 EECDMP COCCOc1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC001208615550 1324594621 /nfs/dbraw/zinc/59/46/21/1324594621.db2.gz HURXCIHUIOCLBD-SFHVURJKSA-N 2 1 347.503 2.176 20 10 EECDMP COCCOc1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC001208615550 1324594626 /nfs/dbraw/zinc/59/46/26/1324594626.db2.gz HURXCIHUIOCLBD-SFHVURJKSA-N 2 1 347.503 2.176 20 10 EECDMP CO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001319950427 1332801178 /nfs/dbraw/zinc/80/11/78/1332801178.db2.gz CMSHUNATETYHPN-ZWKOTPCHSA-N 2 1 335.467 2.481 20 10 EECDMP [NH3+]C1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC001580137437 1344480019 /nfs/dbraw/zinc/48/00/19/1344480019.db2.gz LGCNSEYFELWTMG-AWEZNQCLSA-N 2 1 337.851 2.008 20 10 EECDMP CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000373247875 466742004 /nfs/dbraw/zinc/74/20/04/466742004.db2.gz UGSDTKXOTKVDNH-HXUWFJFHSA-N 2 1 330.520 2.353 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)Cc3ccccc3)cc2)CC1 ZINC000775639348 577441521 /nfs/dbraw/zinc/44/15/21/577441521.db2.gz UYWISMMUOYINTQ-UHFFFAOYSA-N 2 1 339.483 2.433 20 10 EECDMP CCN(C)c1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000765800360 577507458 /nfs/dbraw/zinc/50/74/58/577507458.db2.gz ZXAYANKZORSOEC-SJLPKXTDSA-N 2 1 346.519 2.381 20 10 EECDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255988 676252070 /nfs/dbraw/zinc/25/20/70/676252070.db2.gz UPZKILPYJMPZHP-RBUKOAKNSA-N 2 1 346.519 2.346 20 10 EECDMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283330 1202040451 /nfs/dbraw/zinc/04/04/51/1202040451.db2.gz BBMYHTMGSBOUAQ-UHFFFAOYSA-N 2 1 347.894 2.424 20 10 EECDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(O)c(O)c3)C2)C1 ZINC001275821543 1205550921 /nfs/dbraw/zinc/55/09/21/1205550921.db2.gz SXKDRGKBEJNROG-FQEVSTJZSA-N 2 1 347.503 2.337 20 10 EECDMP Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(CC(=O)N(C)C)C3)C2)c1O ZINC001276080744 1205764398 /nfs/dbraw/zinc/76/43/98/1205764398.db2.gz TYUBIUZZBOOIHN-HXUWFJFHSA-N 2 1 345.487 2.077 20 10 EECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)[C@@H](C)C1 ZINC000246897445 1213394388 /nfs/dbraw/zinc/39/43/88/1213394388.db2.gz HKSWJDFYYLLZMY-YJBOKZPZSA-N 2 1 335.467 2.482 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)cc1C ZINC001019044389 1228668290 /nfs/dbraw/zinc/66/82/90/1228668290.db2.gz SRHCMTFHKZVZMU-ZWKOTPCHSA-N 2 1 345.487 2.178 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H](N(C)C)C3)cc2)CC1 ZINC001140304215 1314861937 /nfs/dbraw/zinc/86/19/37/1314861937.db2.gz IXXFKJRDRISNDI-FQEVSTJZSA-N 2 1 330.520 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](N(C)C)C3)cc2)CC1 ZINC001140304215 1314861940 /nfs/dbraw/zinc/86/19/40/1314861940.db2.gz IXXFKJRDRISNDI-FQEVSTJZSA-N 2 1 330.520 2.355 20 10 EECDMP [NH3+]CCCOC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000843056514 1315831143 /nfs/dbraw/zinc/83/11/43/1315831143.db2.gz OVQDPYTXPFUXED-UHFFFAOYSA-N 2 1 343.265 2.485 20 10 EECDMP Cc1nc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc(N(C)C)[nH+]1 ZINC001156655739 1318142945 /nfs/dbraw/zinc/14/29/45/1318142945.db2.gz IDVOKGJKGWIYTG-UHFFFAOYSA-N 2 1 340.475 2.215 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001276551066 1324225898 /nfs/dbraw/zinc/22/58/98/1324225898.db2.gz AERQAEBZMBSFTC-OYRHEFFESA-N 2 1 342.531 2.497 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCCC2)cc1 ZINC001276551066 1324225903 /nfs/dbraw/zinc/22/59/03/1324225903.db2.gz AERQAEBZMBSFTC-OYRHEFFESA-N 2 1 342.531 2.497 20 10 EECDMP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCCOC1 ZINC001323583717 1333492459 /nfs/dbraw/zinc/49/24/59/1333492459.db2.gz VKDXCTGGTFJSBO-DOTOQJQBSA-N 2 1 335.467 2.482 20 10 EECDMP C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001328792090 1334522075 /nfs/dbraw/zinc/52/20/75/1334522075.db2.gz MHTVNIAOPJNYEX-NVXWUHKLSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328792090 1334522079 /nfs/dbraw/zinc/52/20/79/1334522079.db2.gz MHTVNIAOPJNYEX-NVXWUHKLSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328792090 1334522081 /nfs/dbraw/zinc/52/20/81/1334522081.db2.gz MHTVNIAOPJNYEX-NVXWUHKLSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001330333878 1334824652 /nfs/dbraw/zinc/82/46/52/1334824652.db2.gz IHNCQQWWORMZNP-HNAYVOBHSA-N 2 1 335.467 2.218 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001755693584 1407739443 /nfs/dbraw/zinc/73/94/43/1407739443.db2.gz QOEALVGHJZIWDB-AEFFLSMTSA-N 2 1 347.503 2.423 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001022976595 678884158 /nfs/dbraw/zinc/88/41/58/678884158.db2.gz BDPNFMJDSOIUEL-KURKYZTESA-N 2 1 345.487 2.082 20 10 EECDMP Oc1ccc(F)cc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702623433 1196032512 /nfs/dbraw/zinc/03/25/12/1196032512.db2.gz IDFZNCICNVIKSZ-LJQANCHMSA-N 2 1 330.403 2.258 20 10 EECDMP Oc1ccc(F)cc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702623433 1196032515 /nfs/dbraw/zinc/03/25/15/1196032515.db2.gz IDFZNCICNVIKSZ-LJQANCHMSA-N 2 1 330.403 2.258 20 10 EECDMP Cc1ccc(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)c(O)c1 ZINC001276168085 1205811174 /nfs/dbraw/zinc/81/11/74/1205811174.db2.gz AFARULSZJBPMSD-UHFFFAOYSA-N 2 1 345.487 2.077 20 10 EECDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216511161 1297196837 /nfs/dbraw/zinc/19/68/37/1297196837.db2.gz KSPCMHDLOAJFNW-SJLPKXTDSA-N 2 1 347.503 2.282 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC001222149341 1299388558 /nfs/dbraw/zinc/38/85/58/1299388558.db2.gz XUGKLPZAJPUPAD-NRFANRHFSA-N 3 1 342.531 2.404 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC001222149341 1299388577 /nfs/dbraw/zinc/38/85/77/1299388577.db2.gz XUGKLPZAJPUPAD-NRFANRHFSA-N 2 1 342.531 2.404 20 10 EECDMP COc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)CC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001276860841 1299967394 /nfs/dbraw/zinc/96/73/94/1299967394.db2.gz MMPAVUNKSOSTHS-CALCHBBNSA-N 3 1 347.503 2.236 20 10 EECDMP COc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)CC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001276860841 1299967404 /nfs/dbraw/zinc/96/74/04/1299967404.db2.gz MMPAVUNKSOSTHS-CALCHBBNSA-N 3 1 347.503 2.236 20 10 EECDMP COc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)CC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001276860841 1299967406 /nfs/dbraw/zinc/96/74/06/1299967406.db2.gz MMPAVUNKSOSTHS-CALCHBBNSA-N 3 1 347.503 2.236 20 10 EECDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001277421203 1302950712 /nfs/dbraw/zinc/95/07/12/1302950712.db2.gz OZTNZRHVWSOFPU-HXUWFJFHSA-N 2 1 346.471 2.416 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001277421203 1302950714 /nfs/dbraw/zinc/95/07/14/1302950714.db2.gz OZTNZRHVWSOFPU-HXUWFJFHSA-N 2 1 346.471 2.416 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC[C@@]3(CCC[N@@H+](C)C3)C2)c(O)c1 ZINC001277421203 1302950715 /nfs/dbraw/zinc/95/07/15/1302950715.db2.gz OZTNZRHVWSOFPU-HXUWFJFHSA-N 2 1 346.471 2.416 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@@H]4C3)c(F)c2)CC1 ZINC001236933950 1305736022 /nfs/dbraw/zinc/73/60/22/1305736022.db2.gz AWJLKZYBDLXZJG-LJQANCHMSA-N 2 1 346.494 2.248 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)(C)O)c(F)c2)CC1 ZINC001236942383 1305738666 /nfs/dbraw/zinc/73/86/66/1305738666.db2.gz IZOBSAPQHPZKMW-SFHVURJKSA-N 2 1 335.467 2.313 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237386880 1305913663 /nfs/dbraw/zinc/91/36/63/1305913663.db2.gz BAHRYIZDUPJNKG-QUCCMNQESA-N 3 1 328.504 2.012 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237386880 1305913665 /nfs/dbraw/zinc/91/36/65/1305913665.db2.gz BAHRYIZDUPJNKG-QUCCMNQESA-N 2 1 328.504 2.012 20 10 EECDMP CC[N@@H+](CCCC(=O)OC)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139254625 1314722219 /nfs/dbraw/zinc/72/22/19/1314722219.db2.gz JRZYUETZLYUZBP-UHFFFAOYSA-N 2 1 338.448 2.238 20 10 EECDMP CC[N@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749343 1314955118 /nfs/dbraw/zinc/95/51/18/1314955118.db2.gz WDRQNKIHTVSGEB-KRWDZBQOSA-N 2 1 334.460 2.481 20 10 EECDMP CC[N@@H+]([C@H]1CCOC1)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749343 1314955119 /nfs/dbraw/zinc/95/51/19/1314955119.db2.gz WDRQNKIHTVSGEB-KRWDZBQOSA-N 2 1 334.460 2.481 20 10 EECDMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1ccccc1O)CCC2 ZINC001203555878 1321911546 /nfs/dbraw/zinc/91/15/46/1321911546.db2.gz IHRBPQAPVLWFOQ-UHFFFAOYSA-N 2 1 344.459 2.073 20 10 EECDMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)cc(C[NH+](C)C)c1O ZINC001205617261 1323217655 /nfs/dbraw/zinc/21/76/55/1323217655.db2.gz IQHJZISDLNITDI-HOCLYGCPSA-N 3 1 335.492 2.269 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001206002731 1323367595 /nfs/dbraw/zinc/36/75/95/1323367595.db2.gz AAIKOYWFQLQOQE-HOCLYGCPSA-N 3 1 335.492 2.269 20 10 EECDMP CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001276576667 1324635923 /nfs/dbraw/zinc/63/59/23/1324635923.db2.gz LFYPKDFMUAEJJU-PBHICJAKSA-N 2 1 327.472 2.227 20 10 EECDMP C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001276576667 1324635929 /nfs/dbraw/zinc/63/59/29/1324635929.db2.gz LFYPKDFMUAEJJU-PBHICJAKSA-N 2 1 327.472 2.227 20 10 EECDMP C[N@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001276576667 1324635932 /nfs/dbraw/zinc/63/59/32/1324635932.db2.gz LFYPKDFMUAEJJU-PBHICJAKSA-N 2 1 327.472 2.227 20 10 EECDMP CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320998378 1332994555 /nfs/dbraw/zinc/99/45/55/1332994555.db2.gz CONZQSBZFBVQHT-IBGZPJMESA-N 2 1 335.467 2.314 20 10 EECDMP CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320998378 1332994557 /nfs/dbraw/zinc/99/45/57/1332994557.db2.gz CONZQSBZFBVQHT-IBGZPJMESA-N 2 1 335.467 2.314 20 10 EECDMP COCCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001321323987 1333075136 /nfs/dbraw/zinc/07/51/36/1333075136.db2.gz GKYDOMXXMNQGSV-HXUWFJFHSA-N 2 1 347.503 2.066 20 10 EECDMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816548344 784110919 /nfs/dbraw/zinc/11/09/19/784110919.db2.gz DPQQVVCQMIFSHM-QGZVFWFLSA-N 2 1 341.455 2.222 20 10 EECDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001176992562 798684260 /nfs/dbraw/zinc/68/42/60/798684260.db2.gz UFLNOULJSNGPDI-GOSISDBHSA-N 2 1 347.503 2.474 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H](C2CC2)O1 ZINC000793214408 810189910 /nfs/dbraw/zinc/18/99/10/810189910.db2.gz OCHFFUJCQOAQLH-OXQOHEQNSA-N 2 1 329.488 2.438 20 10 EECDMP COc1cccc(O)c1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000769191441 577572035 /nfs/dbraw/zinc/57/20/35/577572035.db2.gz ANAUQAZNRSDMNK-IAGOWNOFSA-N 2 1 347.503 2.391 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC001026733920 684925336 /nfs/dbraw/zinc/92/53/36/684925336.db2.gz JUTRKJHUSWNCGD-QZTJIDSGSA-N 2 1 345.487 2.036 20 10 EECDMP Cc1ccc(C)c(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c1O ZINC001273049341 1194352708 /nfs/dbraw/zinc/35/27/08/1194352708.db2.gz UNTVHPDSIGYGDA-HXUWFJFHSA-N 2 1 345.487 2.138 20 10 EECDMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876964241 1199831792 /nfs/dbraw/zinc/83/17/92/1199831792.db2.gz VYBCPYFJOVGFFG-SFHVURJKSA-N 2 1 331.504 2.469 20 10 EECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001275174268 1205275023 /nfs/dbraw/zinc/27/50/23/1205275023.db2.gz UTLNVSLYDVGAPH-JLYLLQBASA-N 2 1 329.488 2.363 20 10 EECDMP CCN(CC)c1ccc(C[N@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000801507914 1235735369 /nfs/dbraw/zinc/73/53/69/1235735369.db2.gz KCPTXMYDIGPVTC-UHFFFAOYSA-N 2 1 346.519 2.129 20 10 EECDMP CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000801507914 1235735377 /nfs/dbraw/zinc/73/53/77/1235735377.db2.gz KCPTXMYDIGPVTC-UHFFFAOYSA-N 2 1 346.519 2.129 20 10 EECDMP CCOC(=O)[C@@]12C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@@H]1CC[NH2+]CC2 ZINC001235351001 1305201492 /nfs/dbraw/zinc/20/14/92/1305201492.db2.gz BVSCPEPOIVZGGO-JXFKEZNVSA-N 2 1 346.471 2.374 20 10 EECDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])cc1 ZINC001235992835 1305470083 /nfs/dbraw/zinc/47/00/83/1305470083.db2.gz MTMQFSFKPXNKNA-UFRUDQCGSA-N 2 1 325.456 2.500 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c(F)c2)CC1 ZINC001236321957 1305560817 /nfs/dbraw/zinc/56/08/17/1305560817.db2.gz XPGSCTHZZORNQC-CALCHBBNSA-N 3 1 346.494 2.009 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c(F)c2)CC1 ZINC001236321957 1305560822 /nfs/dbraw/zinc/56/08/22/1305560822.db2.gz XPGSCTHZZORNQC-CALCHBBNSA-N 2 1 346.494 2.009 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c(F)c2)CC1 ZINC001236321957 1305560824 /nfs/dbraw/zinc/56/08/24/1305560824.db2.gz XPGSCTHZZORNQC-CALCHBBNSA-N 2 1 346.494 2.009 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@]1(C)O ZINC001236931377 1305734376 /nfs/dbraw/zinc/73/43/76/1305734376.db2.gz JZNQWVIBOMRUKN-KXBFYZLASA-N 2 1 335.467 2.170 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC4(C3)CC[NH+](C)CC4)c(F)c2)CC1 ZINC001236941947 1305739626 /nfs/dbraw/zinc/73/96/26/1305739626.db2.gz HTMCHBVVALNTEW-UHFFFAOYSA-N 2 1 346.494 2.105 20 10 EECDMP CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116466353 1305888456 /nfs/dbraw/zinc/88/84/56/1305888456.db2.gz UJPPEUAOTKHRGT-VQIMIIECSA-N 2 1 335.467 2.482 20 10 EECDMP CC(C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(C)(C)O ZINC001116763431 1305916201 /nfs/dbraw/zinc/91/62/01/1305916201.db2.gz DFBLMMDRWMYYSP-SFHVURJKSA-N 2 1 337.483 2.463 20 10 EECDMP Cc1cc(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)n(C)n1 ZINC001139409929 1314740846 /nfs/dbraw/zinc/74/08/46/1314740846.db2.gz VSQCDSGOOXPSCT-UHFFFAOYSA-N 2 1 327.476 2.112 20 10 EECDMP Cc1cc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)n(C)n1 ZINC001139409929 1314740850 /nfs/dbraw/zinc/74/08/50/1314740850.db2.gz VSQCDSGOOXPSCT-UHFFFAOYSA-N 2 1 327.476 2.112 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](CCC(=O)OC)C3CC3)cc2)CC1 ZINC001140309920 1314864976 /nfs/dbraw/zinc/86/49/76/1314864976.db2.gz ZWKAFXHWXUQGOO-UHFFFAOYSA-N 2 1 345.487 2.356 20 10 EECDMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000841006944 1315453116 /nfs/dbraw/zinc/45/31/16/1315453116.db2.gz QBKLOVQQBVXARQ-MRXNPFEDSA-N 2 1 345.487 2.334 20 10 EECDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@@](O)(C[NH3+])CC3)ccc2O1 ZINC001205256107 1322332972 /nfs/dbraw/zinc/33/29/72/1322332972.db2.gz NFXCRWPDKQMQFM-IBGZPJMESA-N 2 1 332.444 2.252 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001206002730 1323367161 /nfs/dbraw/zinc/36/71/61/1323367161.db2.gz AAIKOYWFQLQOQE-GOEBONIOSA-N 3 1 335.492 2.269 20 10 EECDMP C[N@H+]1CCC2(C1)CC[NH+](Cc1ccc(N3CCOCC3)cc1)CC2 ZINC001276635449 1324908708 /nfs/dbraw/zinc/90/87/08/1324908708.db2.gz KZYBGQSDUKNVQP-UHFFFAOYSA-N 2 1 329.488 2.441 20 10 EECDMP CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320998379 1332994775 /nfs/dbraw/zinc/99/47/75/1332994775.db2.gz CONZQSBZFBVQHT-LJQANCHMSA-N 2 1 335.467 2.314 20 10 EECDMP CC[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320998379 1332994777 /nfs/dbraw/zinc/99/47/77/1332994777.db2.gz CONZQSBZFBVQHT-LJQANCHMSA-N 2 1 335.467 2.314 20 10 EECDMP C[NH2+]CCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001349319896 1337617163 /nfs/dbraw/zinc/61/71/63/1337617163.db2.gz PZDZCPGNGRQRJJ-UHFFFAOYSA-N 3 1 348.510 2.399 20 10 EECDMP CC[C@H](C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1)[NH+](C)C ZINC001089834582 777424644 /nfs/dbraw/zinc/42/46/44/777424644.db2.gz JCIVIEQBYCDFJD-QGZVFWFLSA-N 2 1 345.491 2.076 20 10 EECDMP CC[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817889219 785024149 /nfs/dbraw/zinc/02/41/49/785024149.db2.gz NZWUIXLBOGRSEC-QRQLOZEOSA-N 2 1 344.503 2.009 20 10 EECDMP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CCN1C1CC1 ZINC001172002315 796829896 /nfs/dbraw/zinc/82/98/96/796829896.db2.gz ADBHLSFUHRVMAT-KRWDZBQOSA-N 2 1 343.471 2.100 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1C ZINC000969956509 675343487 /nfs/dbraw/zinc/34/34/87/675343487.db2.gz XOJCFUBKSRPLBF-CRAIPNDOSA-N 2 1 345.487 2.036 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC001233485677 1304478139 /nfs/dbraw/zinc/47/81/39/1304478139.db2.gz GPACCAOHXFFAIL-IAGOWNOFSA-N 2 1 340.423 2.367 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235045679 1305096543 /nfs/dbraw/zinc/09/65/43/1305096543.db2.gz LURBQEQXSHTBQS-FQEVSTJZSA-N 3 1 328.504 2.204 20 10 EECDMP C[N@H+]1C[C@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)[C@@H]2C1 ZINC001236938142 1305736993 /nfs/dbraw/zinc/73/69/93/1305736993.db2.gz KAASYBBISIHQKR-YLJYHZDGSA-N 2 1 346.494 2.104 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CCO4)C3)c(F)c2)CC1 ZINC001236939514 1305739003 /nfs/dbraw/zinc/73/90/03/1305739003.db2.gz RTDLXOLHLPXDCI-LJQANCHMSA-N 2 1 333.451 2.332 20 10 EECDMP Cc1ccc(C)c(CN2CC[NH+](CC3CC[NH+](C)CC3)CC2)c1O ZINC001140184875 1314829841 /nfs/dbraw/zinc/82/98/41/1314829841.db2.gz IZAQYXJQKSLQNB-UHFFFAOYSA-N 2 1 331.504 2.468 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@](C)(O)C3)cc2)CC1 ZINC001140302525 1314861529 /nfs/dbraw/zinc/86/15/29/1314861529.db2.gz SZPFUSGRXYUIGG-XLIONFOSSA-N 2 1 331.504 2.421 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3C3CCC3)cc2)CC1 ZINC000843429077 1315913239 /nfs/dbraw/zinc/91/32/39/1315913239.db2.gz RHMAESLCWQUMFN-FQEVSTJZSA-N 2 1 329.488 2.439 20 10 EECDMP [NH3+]Cc1cc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)ncn1 ZINC001155630833 1317680820 /nfs/dbraw/zinc/68/08/20/1317680820.db2.gz ZZTIJPPTZYMPHZ-IXIUHKBRSA-N 2 1 339.487 2.335 20 10 EECDMP C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320424902 1332880510 /nfs/dbraw/zinc/88/05/10/1332880510.db2.gz UENVBYPQEFWOJQ-HZPDHXFCSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320424902 1332880514 /nfs/dbraw/zinc/88/05/14/1332880514.db2.gz UENVBYPQEFWOJQ-HZPDHXFCSA-N 2 1 334.483 2.102 20 10 EECDMP CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323275259 1333428904 /nfs/dbraw/zinc/42/89/04/1333428904.db2.gz SDUKVASGNVWEEU-NVXWUHKLSA-N 2 1 337.483 2.464 20 10 EECDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(N3CC[NH+](C)CC3)cc1)CC[NH2+]CC2 ZINC000818431660 785254545 /nfs/dbraw/zinc/25/45/45/785254545.db2.gz QVBDHBBFVYQPGR-GOSISDBHSA-N 3 1 342.531 2.402 20 10 EECDMP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N3CCN(C)CC3)cc1)CC[NH2+]CC2 ZINC000818431660 785254550 /nfs/dbraw/zinc/25/45/50/785254550.db2.gz QVBDHBBFVYQPGR-GOSISDBHSA-N 2 1 342.531 2.402 20 10 EECDMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(N3CCN(C)CC3)cc1)CC[NH2+]CC2 ZINC000818431660 785254558 /nfs/dbraw/zinc/25/45/58/785254558.db2.gz QVBDHBBFVYQPGR-GOSISDBHSA-N 2 1 342.531 2.402 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000793214411 810190181 /nfs/dbraw/zinc/19/01/81/810190181.db2.gz OCHFFUJCQOAQLH-UZLBHIALSA-N 2 1 329.488 2.438 20 10 EECDMP COc1cccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000092665668 462970252 /nfs/dbraw/zinc/97/02/52/462970252.db2.gz RLSCXRNMJPOARY-CALCHBBNSA-N 2 1 347.503 2.391 20 10 EECDMP COc1cccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000092665668 462970257 /nfs/dbraw/zinc/97/02/57/462970257.db2.gz RLSCXRNMJPOARY-CALCHBBNSA-N 2 1 347.503 2.391 20 10 EECDMP CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371471057 465817175 /nfs/dbraw/zinc/81/71/75/465817175.db2.gz QMLJLFKFBOBBKZ-LZLYRXPVSA-N 2 1 334.460 2.474 20 10 EECDMP CCOc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367472716 466363482 /nfs/dbraw/zinc/36/34/82/466363482.db2.gz UENCIHNSSGCUAP-QGZVFWFLSA-N 2 1 333.476 2.003 20 10 EECDMP CCOc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1O ZINC000367472716 466363486 /nfs/dbraw/zinc/36/34/86/466363486.db2.gz UENCIHNSSGCUAP-QGZVFWFLSA-N 2 1 333.476 2.003 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2)CC1 ZINC000775742334 577444460 /nfs/dbraw/zinc/44/44/60/577444460.db2.gz UEWQWQKBMLSYMB-PZJWPPBQSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc2)CC1 ZINC000775742334 577444461 /nfs/dbraw/zinc/44/44/61/577444461.db2.gz UEWQWQKBMLSYMB-PZJWPPBQSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc2)CC1 ZINC000775742334 577444462 /nfs/dbraw/zinc/44/44/62/577444462.db2.gz UEWQWQKBMLSYMB-PZJWPPBQSA-N 3 1 342.531 2.355 20 10 EECDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768445864 577555929 /nfs/dbraw/zinc/55/59/29/577555929.db2.gz IQZPYFOYHZKNEO-SFHVURJKSA-N 2 1 334.460 2.370 20 10 EECDMP C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894769370 683076128 /nfs/dbraw/zinc/07/61/28/683076128.db2.gz FNAPBUPWXHTTGX-MRXNPFEDSA-N 2 1 339.430 2.271 20 10 EECDMP COc1cc(C)cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000894770524 683076405 /nfs/dbraw/zinc/07/64/05/683076405.db2.gz PRQXDENXIYZEMU-GOSISDBHSA-N 2 1 347.503 2.310 20 10 EECDMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531959 1199958207 /nfs/dbraw/zinc/95/82/07/1199958207.db2.gz SHOWBNGZEZQIRY-OXQOHEQNSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531959 1199958209 /nfs/dbraw/zinc/95/82/09/1199958209.db2.gz SHOWBNGZEZQIRY-OXQOHEQNSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531959 1199958211 /nfs/dbraw/zinc/95/82/11/1199958211.db2.gz SHOWBNGZEZQIRY-OXQOHEQNSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531959 1199958215 /nfs/dbraw/zinc/95/82/15/1199958215.db2.gz SHOWBNGZEZQIRY-OXQOHEQNSA-N 2 1 331.504 2.420 20 10 EECDMP Cc1cc(CO)cc(NCc2ccc(N3CC[NH+](C)CC3)cc2)[nH+]1 ZINC000882880019 1201966665 /nfs/dbraw/zinc/96/66/65/1201966665.db2.gz YCNOIRPZVKHUQU-UHFFFAOYSA-N 2 1 326.444 2.246 20 10 EECDMP COc1ccc(O)c(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1 ZINC001275278557 1205296831 /nfs/dbraw/zinc/29/68/31/1205296831.db2.gz NFCUTHPGBMLENX-UHFFFAOYSA-N 2 1 347.503 2.250 20 10 EECDMP COc1ccc(O)c(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c1 ZINC001275278557 1205296832 /nfs/dbraw/zinc/29/68/32/1205296832.db2.gz NFCUTHPGBMLENX-UHFFFAOYSA-N 2 1 347.503 2.250 20 10 EECDMP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001045311692 1233658221 /nfs/dbraw/zinc/65/82/21/1233658221.db2.gz OODDAOLAYXTFOE-ROUUACIJSA-N 2 1 345.487 2.036 20 10 EECDMP Oc1cc(Cl)c(Cl)cc1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104586 1299356524 /nfs/dbraw/zinc/35/65/24/1299356524.db2.gz IDBGNAMSYAUDKL-UHFFFAOYSA-N 2 1 330.259 2.226 20 10 EECDMP Oc1cc(Cl)c(Cl)cc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104586 1299356535 /nfs/dbraw/zinc/35/65/35/1299356535.db2.gz IDBGNAMSYAUDKL-UHFFFAOYSA-N 2 1 330.259 2.226 20 10 EECDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)ccc2O1 ZINC001222109352 1299360910 /nfs/dbraw/zinc/36/09/10/1299360910.db2.gz FYNNVVJHJHKNCO-UHFFFAOYSA-N 2 1 343.471 2.104 20 10 EECDMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000841006941 1315452781 /nfs/dbraw/zinc/45/27/81/1315452781.db2.gz QBKLOVQQBVXARQ-INIZCTEOSA-N 2 1 345.487 2.334 20 10 EECDMP COc1c(O)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843125371 1315849212 /nfs/dbraw/zinc/84/92/12/1315849212.db2.gz UDFAMVWJUNDHIW-STQMWFEESA-N 2 1 335.404 2.131 20 10 EECDMP COc1c(O)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843125371 1315849217 /nfs/dbraw/zinc/84/92/17/1315849217.db2.gz UDFAMVWJUNDHIW-STQMWFEESA-N 2 1 335.404 2.131 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206003701 1323366977 /nfs/dbraw/zinc/36/69/77/1323366977.db2.gz LKMQFLVPYLWBAT-WMZOPIPTSA-N 2 1 331.504 2.455 20 10 EECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCCOC1 ZINC001323583720 1333492835 /nfs/dbraw/zinc/49/28/35/1333492835.db2.gz VKDXCTGGTFJSBO-NVXWUHKLSA-N 2 1 335.467 2.482 20 10 EECDMP C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337026159 1336632534 /nfs/dbraw/zinc/63/25/34/1336632534.db2.gz NWRCYMPLLRZSIO-QGZVFWFLSA-N 2 1 334.483 2.104 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C[NH3+] ZINC000817865985 785032612 /nfs/dbraw/zinc/03/26/12/785032612.db2.gz QUYLOJGHKHNWOV-VYDXJSESSA-N 2 1 335.467 2.468 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)cc1C ZINC001129328080 802592829 /nfs/dbraw/zinc/59/28/29/802592829.db2.gz LQYWHRQNSISTHH-SFHVURJKSA-N 2 1 347.503 2.187 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378374173 467283815 /nfs/dbraw/zinc/28/38/15/467283815.db2.gz VLDQDXWORPJESU-HHXXYDBFSA-N 2 1 334.460 2.474 20 10 EECDMP COc1ccc(N2CCN(CC[C@H]3CCC[N@H+]3C)CC2)c(OC)c1 ZINC000879461349 1201080248 /nfs/dbraw/zinc/08/02/48/1201080248.db2.gz AYZSGMDHIZXSTN-MRXNPFEDSA-N 2 1 333.476 2.310 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1O ZINC001232361956 1304095407 /nfs/dbraw/zinc/09/54/07/1304095407.db2.gz GTDCFQQMIFKYJI-UHFFFAOYSA-N 2 1 326.444 2.171 20 10 EECDMP COc1cc(Cl)cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c1O ZINC001233290214 1304417302 /nfs/dbraw/zinc/41/73/02/1304417302.db2.gz OZRYDMAJEKLREZ-UHFFFAOYSA-N 2 1 341.883 2.124 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169157 1305136430 /nfs/dbraw/zinc/13/64/30/1305136430.db2.gz WEPANPZEILCBSM-HXUWFJFHSA-N 3 1 328.504 2.204 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235169157 1305136433 /nfs/dbraw/zinc/13/64/33/1305136433.db2.gz WEPANPZEILCBSM-HXUWFJFHSA-N 3 1 328.504 2.204 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)C(C)(C)O)cc2F)CC1 ZINC001117789900 1306167882 /nfs/dbraw/zinc/16/78/82/1306167882.db2.gz SCTDKDFDPLBSMY-UHFFFAOYSA-N 2 1 337.483 2.464 20 10 EECDMP COc1cc(CN2CCC[N@H+]3CCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256790 1314722180 /nfs/dbraw/zinc/72/21/80/1314722180.db2.gz KPCODULCHACJKH-KRWDZBQOSA-N 2 1 333.476 2.133 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)cc(C[NH+](C)C)c1O ZINC001139258962 1314722835 /nfs/dbraw/zinc/72/28/35/1314722835.db2.gz CEYMAPWVZOARLI-LJQANCHMSA-N 2 1 348.443 2.134 20 10 EECDMP Cc1cc(C)c(CNc2nc(N3CCC([NH3+])CC3)cc[nH+]2)c(O)c1 ZINC001160810472 1320276808 /nfs/dbraw/zinc/27/68/08/1320276808.db2.gz RHEUIXMSCXRUGF-UHFFFAOYSA-N 2 1 327.432 2.339 20 10 EECDMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CC[NH+](Cc1ccc(O)cc1O)C2 ZINC001204274095 1322100066 /nfs/dbraw/zinc/10/00/66/1322100066.db2.gz IEZJMFQMZPWSQN-XLIONFOSSA-N 2 1 346.471 2.278 20 10 EECDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204274095 1322100074 /nfs/dbraw/zinc/10/00/74/1322100074.db2.gz IEZJMFQMZPWSQN-XLIONFOSSA-N 2 1 346.471 2.278 20 10 EECDMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204274095 1322100080 /nfs/dbraw/zinc/10/00/80/1322100080.db2.gz IEZJMFQMZPWSQN-XLIONFOSSA-N 2 1 346.471 2.278 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)CCCO)cc2F)CC1 ZINC001320558066 1332909792 /nfs/dbraw/zinc/90/97/92/1332909792.db2.gz VRVKMIDRSHRBLS-UHFFFAOYSA-N 2 1 337.483 2.466 20 10 EECDMP CCC[C@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332339214 1335806066 /nfs/dbraw/zinc/80/60/66/1335806066.db2.gz LLGPIXHUKLAUFB-KRWDZBQOSA-N 2 1 334.483 2.151 20 10 EECDMP C[C@@H](CO)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CCC1 ZINC000809665056 783293582 /nfs/dbraw/zinc/29/35/82/783293582.db2.gz NPRUBSMESXHHLD-KRWDZBQOSA-N 2 1 331.504 2.421 20 10 EECDMP C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703913 783320582 /nfs/dbraw/zinc/32/05/82/783320582.db2.gz RTDMMRLQKLIOIH-NQIIRXRSSA-N 2 1 342.531 2.497 20 10 EECDMP C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809703913 783320589 /nfs/dbraw/zinc/32/05/89/783320589.db2.gz RTDMMRLQKLIOIH-NQIIRXRSSA-N 2 1 342.531 2.497 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)CCCn2cc[nH+]c2C)cc1C ZINC001135305321 783563846 /nfs/dbraw/zinc/56/38/46/783563846.db2.gz QZAIEYNYTIKUJL-UHFFFAOYSA-N 2 1 344.459 2.195 20 10 EECDMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(F)c1N1CCOCC1 ZINC000817936568 785080976 /nfs/dbraw/zinc/08/09/76/785080976.db2.gz ULTSEXALWCYOFA-YIONKMFJSA-N 2 1 337.414 2.174 20 10 EECDMP CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825005928 788378793 /nfs/dbraw/zinc/37/87/93/788378793.db2.gz VKJBNLWKXZJFOH-IBGZPJMESA-N 2 1 330.520 2.355 20 10 EECDMP CC[C@H]1CN(CC)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825005928 788378805 /nfs/dbraw/zinc/37/88/05/788378805.db2.gz VKJBNLWKXZJFOH-IBGZPJMESA-N 2 1 330.520 2.355 20 10 EECDMP CC[C@H]1CN(CC)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000825005928 788378819 /nfs/dbraw/zinc/37/88/19/788378819.db2.gz VKJBNLWKXZJFOH-IBGZPJMESA-N 2 1 330.520 2.355 20 10 EECDMP CCCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(O)c1 ZINC000119532328 462909656 /nfs/dbraw/zinc/90/96/56/462909656.db2.gz HFVOJXWJZAOHJK-UHFFFAOYSA-N 2 1 347.503 2.394 20 10 EECDMP CCOc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000370704796 466972910 /nfs/dbraw/zinc/97/29/10/466972910.db2.gz BKXRUWWZYLRTMK-WMZOPIPTSA-N 2 1 347.503 2.249 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3C3OCCO3)cc2)CC1 ZINC000775675046 577442431 /nfs/dbraw/zinc/44/24/31/577442431.db2.gz QIOHAHXCGAOOEK-LJQANCHMSA-N 2 1 345.487 2.166 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000779155007 1208530948 /nfs/dbraw/zinc/53/09/48/1208530948.db2.gz YBSKYTBTLITSCU-ICSRJNTNSA-N 2 1 331.504 2.421 20 10 EECDMP c1cn(CC[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc3c(c2)OCCO3)cn1 ZINC001277014258 1300831332 /nfs/dbraw/zinc/83/13/32/1300831332.db2.gz NRDLKOSQTAYZQP-CALCHBBNSA-N 2 1 340.427 2.008 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC1CCOCC1 ZINC001236933141 1305735454 /nfs/dbraw/zinc/73/54/54/1305735454.db2.gz VLKAWXIJLYPYRA-UHFFFAOYSA-N 2 1 335.467 2.436 20 10 EECDMP C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117788945 1306167829 /nfs/dbraw/zinc/16/78/29/1306167829.db2.gz CKLHGTIYPAAZJY-OAHLLOKOSA-N 2 1 345.466 2.032 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc2)CC1 ZINC000843045795 1315827858 /nfs/dbraw/zinc/82/78/58/1315827858.db2.gz KOMVBPSTWIVNRF-NRFANRHFSA-N 2 1 342.531 2.402 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C[NH2+]C)C3)cc2)CC1 ZINC001205009380 1322263849 /nfs/dbraw/zinc/26/38/49/1322263849.db2.gz PUONQCPRMCABNF-IBGZPJMESA-N 3 1 330.520 2.260 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[C@@H](C[NH2+]C)C3)cc2)CC1 ZINC001205009380 1322263853 /nfs/dbraw/zinc/26/38/53/1322263853.db2.gz PUONQCPRMCABNF-IBGZPJMESA-N 2 1 330.520 2.260 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205626252 1323220622 /nfs/dbraw/zinc/22/06/22/1323220622.db2.gz FBBNGPMPEODWAN-WMZOPIPTSA-N 2 1 331.504 2.455 20 10 EECDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1F ZINC001206199684 1323424152 /nfs/dbraw/zinc/42/41/52/1323424152.db2.gz OZELDFNGNOZCIG-IRXDYDNUSA-N 2 1 341.858 2.438 20 10 EECDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@@H]1F ZINC001206199684 1323424157 /nfs/dbraw/zinc/42/41/57/1323424157.db2.gz OZELDFNGNOZCIG-IRXDYDNUSA-N 2 1 341.858 2.438 20 10 EECDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001578498438 1344285320 /nfs/dbraw/zinc/28/53/20/1344285320.db2.gz JYAHVJHJIRBMTL-ROUUACIJSA-N 2 1 331.485 2.197 20 10 EECDMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287575 1372557801 /nfs/dbraw/zinc/55/78/01/1372557801.db2.gz YXIOYXMKSSDPAR-XLIONFOSSA-N 2 1 329.488 2.174 20 10 EECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c2nccn21 ZINC000825017761 788397037 /nfs/dbraw/zinc/39/70/37/788397037.db2.gz YUWBMWWNTICMTG-MAUKXSAKSA-N 2 1 325.460 2.431 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3CN3CCCC3)cc2)CC1 ZINC000775664352 577442124 /nfs/dbraw/zinc/44/21/24/577442124.db2.gz LTDNSIMEEPULRI-NRFANRHFSA-N 2 1 342.531 2.499 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CN3CCCC3)cc2)CC1 ZINC000775664352 577442125 /nfs/dbraw/zinc/44/21/25/577442125.db2.gz LTDNSIMEEPULRI-NRFANRHFSA-N 2 1 342.531 2.499 20 10 EECDMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)cc1C ZINC000768463459 577556335 /nfs/dbraw/zinc/55/63/35/577556335.db2.gz UDOUAHQHKQWKIC-TXPKVOOTSA-N 2 1 334.460 2.393 20 10 EECDMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000702587170 1196020783 /nfs/dbraw/zinc/02/07/83/1196020783.db2.gz LUHCARNIEQKYEY-UKRRQHHQSA-N 2 1 343.265 2.262 20 10 EECDMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)c1O ZINC001275270435 1205295209 /nfs/dbraw/zinc/29/52/09/1205295209.db2.gz IYBJUCSPJSGIJL-IRXDYDNUSA-N 2 1 333.476 2.001 20 10 EECDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1 ZINC001275953513 1205600538 /nfs/dbraw/zinc/60/05/38/1205600538.db2.gz YHWFFFWARGOXEG-UHFFFAOYSA-N 2 1 347.503 2.337 20 10 EECDMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccc(O)cc3O)CC2)C1 ZINC001275953513 1205600539 /nfs/dbraw/zinc/60/05/39/1205600539.db2.gz YHWFFFWARGOXEG-UHFFFAOYSA-N 2 1 347.503 2.337 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc2ccccc2c1O ZINC001276373988 1229455069 /nfs/dbraw/zinc/45/50/69/1229455069.db2.gz NLVVNKXJLJKBNS-HDICACEKSA-N 2 1 325.456 2.366 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1C ZINC001075108716 1257384251 /nfs/dbraw/zinc/38/42/51/1257384251.db2.gz FGICHGOXNKOGFK-SZMVWBNQSA-N 2 1 345.487 2.034 20 10 EECDMP [NH3+]C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(F)(F)F ZINC000863646771 1296364184 /nfs/dbraw/zinc/36/41/84/1296364184.db2.gz NZGPHHHIRAFVMK-QWRGUYRKSA-N 2 1 332.322 2.080 20 10 EECDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CC[C@@H]1C(F)(F)F ZINC000863646771 1296364194 /nfs/dbraw/zinc/36/41/94/1296364194.db2.gz NZGPHHHIRAFVMK-QWRGUYRKSA-N 2 1 332.322 2.080 20 10 EECDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001276875470 1300036874 /nfs/dbraw/zinc/03/68/74/1300036874.db2.gz AQCWPUSXMAAIHF-NRFANRHFSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001276875470 1300036886 /nfs/dbraw/zinc/03/68/86/1300036886.db2.gz AQCWPUSXMAAIHF-NRFANRHFSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001276875470 1300036900 /nfs/dbraw/zinc/03/69/00/1300036900.db2.gz AQCWPUSXMAAIHF-NRFANRHFSA-N 3 1 342.531 2.356 20 10 EECDMP CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236939402 1305739281 /nfs/dbraw/zinc/73/92/81/1305739281.db2.gz QMMBTUHTBJXMTQ-MRXNPFEDSA-N 2 1 333.451 2.379 20 10 EECDMP Oc1cc(O)c(C[NH+]2CCC3(CC2)[NH2+]CCc2ccccc23)c(O)c1 ZINC001237289820 1305883814 /nfs/dbraw/zinc/88/38/14/1305883814.db2.gz UQWSMXFGZLQVJS-UHFFFAOYSA-N 2 1 340.423 2.440 20 10 EECDMP CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2O)CCC12C[NH2+]C2 ZINC001237429176 1305928731 /nfs/dbraw/zinc/92/87/31/1305928731.db2.gz DPXZWCPARXTPMQ-KRWDZBQOSA-N 2 1 346.471 2.490 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C)(O)CC3)cc2F)CC1 ZINC001119600560 1309138001 /nfs/dbraw/zinc/13/80/01/1309138001.db2.gz WYRPZBUXFLZFMP-UHFFFAOYSA-N 2 1 335.467 2.361 20 10 EECDMP COc1cc(C[N@H+](C)Cc2cnc(C)nc2)cc(C[NH+](C)C)c1O ZINC001139258988 1314722529 /nfs/dbraw/zinc/72/25/29/1314722529.db2.gz CYMHULPOQHDCHU-UHFFFAOYSA-N 2 1 330.432 2.193 20 10 EECDMP COc1cc(C[N@@H+](C)Cc2cnc(C)nc2)cc(C[NH+](C)C)c1O ZINC001139258988 1314722533 /nfs/dbraw/zinc/72/25/33/1314722533.db2.gz CYMHULPOQHDCHU-UHFFFAOYSA-N 2 1 330.432 2.193 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C)N(C)C[C@H]3C)cc2)CC1 ZINC001140301827 1314860272 /nfs/dbraw/zinc/86/02/72/1314860272.db2.gz AQRIFDUGJXIIBT-ZWKOTPCHSA-N 2 1 330.520 2.353 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)CC1 ZINC001140301827 1314860277 /nfs/dbraw/zinc/86/02/77/1314860277.db2.gz AQRIFDUGJXIIBT-ZWKOTPCHSA-N 2 1 330.520 2.353 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2)CC1 ZINC001140301827 1314860282 /nfs/dbraw/zinc/86/02/82/1314860282.db2.gz AQRIFDUGJXIIBT-ZWKOTPCHSA-N 2 1 330.520 2.353 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124796 1315848630 /nfs/dbraw/zinc/84/86/30/1315848630.db2.gz GUKUPZZCFQMJPS-UXHICEINSA-N 3 1 342.531 2.260 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124796 1315848631 /nfs/dbraw/zinc/84/86/31/1315848631.db2.gz GUKUPZZCFQMJPS-UXHICEINSA-N 2 1 342.531 2.260 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124796 1315848632 /nfs/dbraw/zinc/84/86/32/1315848632.db2.gz GUKUPZZCFQMJPS-UXHICEINSA-N 2 1 342.531 2.260 20 10 EECDMP CN1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727248 1317494185 /nfs/dbraw/zinc/49/41/85/1317494185.db2.gz QEKVVQDOSPNONO-ZWKOTPCHSA-N 3 1 346.494 2.294 20 10 EECDMP Oc1cc2c(cc1O)C[N@H+](C1CCC([NH+]3CCOCC3)CC1)CCC2 ZINC001256695746 1318837685 /nfs/dbraw/zinc/83/76/85/1318837685.db2.gz LLBRCZPLUDAORL-UHFFFAOYSA-N 2 1 346.471 2.489 20 10 EECDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001276471742 1322170484 /nfs/dbraw/zinc/17/04/84/1322170484.db2.gz GEDJRWNHWHCQBT-UHFFFAOYSA-N 2 1 339.430 2.130 20 10 EECDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1c(O)ccc(F)c1F)C2 ZINC001276471742 1322170489 /nfs/dbraw/zinc/17/04/89/1322170489.db2.gz GEDJRWNHWHCQBT-UHFFFAOYSA-N 2 1 339.430 2.130 20 10 EECDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c1O ZINC001205240022 1322327284 /nfs/dbraw/zinc/32/72/84/1322327284.db2.gz GQZQRRCMSDVAPT-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205617256 1323217964 /nfs/dbraw/zinc/21/79/64/1323217964.db2.gz IQHJZISDLNITDI-GDBMZVCRSA-N 3 1 335.492 2.269 20 10 EECDMP CCOC(=O)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001320643936 1332927852 /nfs/dbraw/zinc/92/78/52/1332927852.db2.gz HNBMVXQLXJPFBV-UHFFFAOYSA-N 2 1 349.450 2.010 20 10 EECDMP C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327394734 1334284116 /nfs/dbraw/zinc/28/41/16/1334284116.db2.gz NZPKHNVIEGEBMI-RDJZCZTQSA-N 2 1 335.467 2.170 20 10 EECDMP C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327394734 1334284117 /nfs/dbraw/zinc/28/41/17/1334284117.db2.gz NZPKHNVIEGEBMI-RDJZCZTQSA-N 2 1 335.467 2.170 20 10 EECDMP CC[N@H+](C)CCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089842918 777833340 /nfs/dbraw/zinc/83/33/40/777833340.db2.gz XYERSCFQVFXOJJ-UHFFFAOYSA-N 2 1 345.491 2.078 20 10 EECDMP CC[N@@H+](C)CCC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089842918 777833352 /nfs/dbraw/zinc/83/33/52/777833352.db2.gz XYERSCFQVFXOJJ-UHFFFAOYSA-N 2 1 345.491 2.078 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]4COC[C@@H]43)cc2)CC1 ZINC000825331967 788575445 /nfs/dbraw/zinc/57/54/45/788575445.db2.gz OKQXLVABWQTQFW-MOPGFXCFSA-N 2 1 329.488 2.295 20 10 EECDMP Oc1cc(O)c(C[N@@H+]2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001144504658 789894517 /nfs/dbraw/zinc/89/45/17/789894517.db2.gz YUBYEMOWQXRXKB-BETUJISGSA-N 2 1 346.452 2.429 20 10 EECDMP Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001144504658 789894529 /nfs/dbraw/zinc/89/45/29/789894529.db2.gz YUBYEMOWQXRXKB-BETUJISGSA-N 2 1 346.452 2.429 20 10 EECDMP Oc1cc(O)c(C[N@H+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001144504658 789894533 /nfs/dbraw/zinc/89/45/33/789894533.db2.gz YUBYEMOWQXRXKB-BETUJISGSA-N 2 1 346.452 2.429 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001144504658 789894537 /nfs/dbraw/zinc/89/45/37/789894537.db2.gz YUBYEMOWQXRXKB-BETUJISGSA-N 2 1 346.452 2.429 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001144504658 789894542 /nfs/dbraw/zinc/89/45/42/789894542.db2.gz YUBYEMOWQXRXKB-BETUJISGSA-N 2 1 346.452 2.429 20 10 EECDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2ccccc2c1O ZINC000185341532 463804193 /nfs/dbraw/zinc/80/41/93/463804193.db2.gz JSGRDSPZBFXAGG-OAHLLOKOSA-N 2 1 341.455 2.360 20 10 EECDMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)cc1C ZINC000768463455 577556339 /nfs/dbraw/zinc/55/63/39/577556339.db2.gz UDOUAHQHKQWKIC-FRQCXROJSA-N 2 1 334.460 2.393 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001020928304 675587438 /nfs/dbraw/zinc/58/74/38/675587438.db2.gz BDPNFMJDSOIUEL-BZSNNMDCSA-N 2 1 345.487 2.082 20 10 EECDMP COc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000702559973 1196011186 /nfs/dbraw/zinc/01/11/86/1196011186.db2.gz AWWAGHVOVOOPPN-HXUWFJFHSA-N 2 1 342.439 2.127 20 10 EECDMP COc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000702559973 1196011188 /nfs/dbraw/zinc/01/11/88/1196011188.db2.gz AWWAGHVOVOOPPN-HXUWFJFHSA-N 2 1 342.439 2.127 20 10 EECDMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531958 1199958306 /nfs/dbraw/zinc/95/83/06/1199958306.db2.gz SHOWBNGZEZQIRY-OXJNMPFZSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531958 1199958314 /nfs/dbraw/zinc/95/83/14/1199958314.db2.gz SHOWBNGZEZQIRY-OXJNMPFZSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531958 1199958316 /nfs/dbraw/zinc/95/83/16/1199958316.db2.gz SHOWBNGZEZQIRY-OXJNMPFZSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531958 1199958320 /nfs/dbraw/zinc/95/83/20/1199958320.db2.gz SHOWBNGZEZQIRY-OXJNMPFZSA-N 2 1 331.504 2.420 20 10 EECDMP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235725046 1305352096 /nfs/dbraw/zinc/35/20/96/1305352096.db2.gz NUSDASLSJMHSMI-SFHVURJKSA-N 2 1 345.487 2.402 20 10 EECDMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235725046 1305352110 /nfs/dbraw/zinc/35/21/10/1305352110.db2.gz NUSDASLSJMHSMI-SFHVURJKSA-N 2 1 345.487 2.402 20 10 EECDMP CCc1ccc(C[NH+]2CCC([NH+]3CCC(C(N)=O)CC3)CC2)c(O)c1 ZINC001236792322 1305677810 /nfs/dbraw/zinc/67/78/10/1305677810.db2.gz OXCXLTXBVMZWOH-UHFFFAOYSA-N 2 1 345.487 2.116 20 10 EECDMP COc1cc(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)cc(C[NH+](C)C)c1O ZINC001139259085 1314722788 /nfs/dbraw/zinc/72/27/88/1314722788.db2.gz HNUAPDYCUBWKNV-QGZVFWFLSA-N 2 1 333.476 2.131 20 10 EECDMP COC(=O)[C@H](C(C)C)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410885 1314741120 /nfs/dbraw/zinc/74/11/20/1314741120.db2.gz KEDSXFATTDOFGH-SFHVURJKSA-N 2 1 333.476 2.068 20 10 EECDMP COC(=O)[C@H](C(C)C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410885 1314741122 /nfs/dbraw/zinc/74/11/22/1314741122.db2.gz KEDSXFATTDOFGH-SFHVURJKSA-N 2 1 333.476 2.068 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3CC(=O)OC)cc2)CC1 ZINC001140306246 1314863086 /nfs/dbraw/zinc/86/30/86/1314863086.db2.gz QJHOZFHYXWMIOF-IBGZPJMESA-N 2 1 345.487 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCN4CCC3CC4)cc2)CC1 ZINC001140306757 1314863194 /nfs/dbraw/zinc/86/31/94/1314863194.db2.gz WRDKHLGJQFGQAH-UHFFFAOYSA-N 2 1 328.504 2.109 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCN4CCC3CC4)cc2)CC1 ZINC001140306757 1314863200 /nfs/dbraw/zinc/86/32/00/1314863200.db2.gz WRDKHLGJQFGQAH-UHFFFAOYSA-N 2 1 328.504 2.109 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCc4ncn(C)c4C3)cc2)CC1 ZINC001140309291 1314864538 /nfs/dbraw/zinc/86/45/38/1314864538.db2.gz AGSHPYAAPJFYFY-UHFFFAOYSA-N 2 1 339.487 2.120 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCc4ncn(C)c4C3)cc2)CC1 ZINC001140309291 1314864544 /nfs/dbraw/zinc/86/45/44/1314864544.db2.gz AGSHPYAAPJFYFY-UHFFFAOYSA-N 2 1 339.487 2.120 20 10 EECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252639 1317035573 /nfs/dbraw/zinc/03/55/73/1317035573.db2.gz OHQUBKJHEOZCCL-UHFFFAOYSA-N 2 1 345.487 2.256 20 10 EECDMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(O)cc1Br ZINC001250133371 1317217527 /nfs/dbraw/zinc/21/75/27/1317217527.db2.gz LIJXETOMOLHHFS-BETUJISGSA-N 2 1 325.250 2.457 20 10 EECDMP CCN(C)c1cc[nH+]c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001156652660 1318139307 /nfs/dbraw/zinc/13/93/07/1318139307.db2.gz YNCMVOKIUAGNOG-UHFFFAOYSA-N 2 1 340.475 2.297 20 10 EECDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]Cc2ccc(OC)c(C)c2)CC[N@H+]1C ZINC001158413074 1319227011 /nfs/dbraw/zinc/22/70/11/1319227011.db2.gz URVJGBYFRGCLDX-ZWKOTPCHSA-N 2 1 347.503 2.330 20 10 EECDMP C[N@H+]1C[C@H](COCC2CC2)[C@]2(CC[NH+](Cc3ccc(O)cc3O)C2)C1 ZINC001204273237 1322098136 /nfs/dbraw/zinc/09/81/36/1322098136.db2.gz LFCIJDGNBYDBRX-YLJYHZDGSA-N 2 1 346.471 2.278 20 10 EECDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204273237 1322098142 /nfs/dbraw/zinc/09/81/42/1322098142.db2.gz LFCIJDGNBYDBRX-YLJYHZDGSA-N 2 1 346.471 2.278 20 10 EECDMP C[NH+]1C[C@H](COCC2CC2)[C@]2(CC[N@@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001204273237 1322098148 /nfs/dbraw/zinc/09/81/48/1322098148.db2.gz LFCIJDGNBYDBRX-YLJYHZDGSA-N 2 1 346.471 2.278 20 10 EECDMP C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327394730 1334284240 /nfs/dbraw/zinc/28/42/40/1334284240.db2.gz NZPKHNVIEGEBMI-DOTOQJQBSA-N 2 1 335.467 2.170 20 10 EECDMP C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001327394730 1334284245 /nfs/dbraw/zinc/28/42/45/1334284245.db2.gz NZPKHNVIEGEBMI-DOTOQJQBSA-N 2 1 335.467 2.170 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428439 1334648180 /nfs/dbraw/zinc/64/81/80/1334648180.db2.gz RDYAAYKDENZYCT-LNLFQRSKSA-N 2 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428439 1334648183 /nfs/dbraw/zinc/64/81/83/1334648183.db2.gz RDYAAYKDENZYCT-LNLFQRSKSA-N 3 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2F)CC1 ZINC001329428439 1334648186 /nfs/dbraw/zinc/64/81/86/1334648186.db2.gz RDYAAYKDENZYCT-LNLFQRSKSA-N 3 1 346.494 2.137 20 10 EECDMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000785987182 806657869 /nfs/dbraw/zinc/65/78/69/806657869.db2.gz FHTZEQHQXGTYGE-UWVAXJGDSA-N 2 1 331.504 2.420 20 10 EECDMP CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000371471059 465817987 /nfs/dbraw/zinc/81/79/87/465817987.db2.gz QMLJLFKFBOBBKZ-XYJFISCASA-N 2 1 334.460 2.474 20 10 EECDMP COc1ccc(N2CCC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000765791511 577507278 /nfs/dbraw/zinc/50/72/78/577507278.db2.gz LUJUQRVVTFMNDH-QUCCMNQESA-N 2 1 345.487 2.117 20 10 EECDMP COc1ccc(N2CCC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000765791511 577507279 /nfs/dbraw/zinc/50/72/79/577507279.db2.gz LUJUQRVVTFMNDH-QUCCMNQESA-N 2 1 345.487 2.117 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001000926902 1241224352 /nfs/dbraw/zinc/22/43/52/1241224352.db2.gz KQZZYMGSJGZECK-QZTJIDSGSA-N 2 1 345.487 2.036 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)cc1C ZINC001074565191 1257073018 /nfs/dbraw/zinc/07/30/18/1257073018.db2.gz YFEPNXQSIWWQTJ-SZMVWBNQSA-N 2 1 345.487 2.177 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286797 1304417737 /nfs/dbraw/zinc/41/77/37/1304417737.db2.gz IYSQCTUIGYILAC-QGZVFWFLSA-N 2 1 347.503 2.332 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233286797 1304417741 /nfs/dbraw/zinc/41/77/41/1304417741.db2.gz IYSQCTUIGYILAC-QGZVFWFLSA-N 2 1 347.503 2.332 20 10 EECDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000799724815 1305392658 /nfs/dbraw/zinc/39/26/58/1305392658.db2.gz AKXWPAQQTBUNDZ-LBPRGKRZSA-N 2 1 327.419 2.347 20 10 EECDMP Cc1cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c(C)n1-c1ccccc1 ZINC001236082228 1305498424 /nfs/dbraw/zinc/49/84/24/1305498424.db2.gz BNULPEPNZGDQMY-UHFFFAOYSA-N 2 1 326.488 2.431 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)N4)cc2)CC1 ZINC001236095250 1305501348 /nfs/dbraw/zinc/50/13/48/1305501348.db2.gz OUMDJSHMNUOPPA-KDURUIRLSA-N 2 1 328.504 2.155 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCC[C@@H](C3)N4)cc2)CC1 ZINC001236095250 1305501355 /nfs/dbraw/zinc/50/13/55/1305501355.db2.gz OUMDJSHMNUOPPA-KDURUIRLSA-N 2 1 328.504 2.155 20 10 EECDMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001116442757 1305886512 /nfs/dbraw/zinc/88/65/12/1305886512.db2.gz OTOJUQNOWAUNIY-NRFANRHFSA-N 2 1 342.531 2.499 20 10 EECDMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001116442757 1305886524 /nfs/dbraw/zinc/88/65/24/1305886524.db2.gz OTOJUQNOWAUNIY-NRFANRHFSA-N 2 1 342.531 2.499 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253131 1314721584 /nfs/dbraw/zinc/72/15/84/1314721584.db2.gz MYZCMLMDSBVFHO-LIRRHRJNSA-N 2 1 336.476 2.445 20 10 EECDMP COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412054 1314741678 /nfs/dbraw/zinc/74/16/78/1314741678.db2.gz BXTRKIGKYHLTMM-AEFFLSMTSA-N 2 1 345.487 2.069 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](C)N(C)[C@@H](C)C3)cc2)CC1 ZINC001140304076 1314862212 /nfs/dbraw/zinc/86/22/12/1314862212.db2.gz HHGOVEKLHNADPY-HDICACEKSA-N 2 1 330.520 2.353 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC001140304076 1314862216 /nfs/dbraw/zinc/86/22/16/1314862216.db2.gz HHGOVEKLHNADPY-HDICACEKSA-N 2 1 330.520 2.353 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@@H](C)[N@H+](C)[C@@H](C)C3)cc2)CC1 ZINC001140304076 1314862220 /nfs/dbraw/zinc/86/22/20/1314862220.db2.gz HHGOVEKLHNADPY-HDICACEKSA-N 2 1 330.520 2.353 20 10 EECDMP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749344 1314955127 /nfs/dbraw/zinc/95/51/27/1314955127.db2.gz WDRQNKIHTVSGEB-QGZVFWFLSA-N 2 1 334.460 2.481 20 10 EECDMP CC[N@@H+]([C@@H]1CCOC1)C1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140749344 1314955129 /nfs/dbraw/zinc/95/51/29/1314955129.db2.gz WDRQNKIHTVSGEB-QGZVFWFLSA-N 2 1 334.460 2.481 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843057046 1315831951 /nfs/dbraw/zinc/83/19/51/1315831951.db2.gz FRQLASCEMWXEFZ-NXEZZACHSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843057046 1315831954 /nfs/dbraw/zinc/83/19/54/1315831954.db2.gz FRQLASCEMWXEFZ-NXEZZACHSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205095554 1322282373 /nfs/dbraw/zinc/28/23/73/1322282373.db2.gz YUDNLQJQOYTVJC-GFCCVEGCSA-N 2 1 329.238 2.477 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205095554 1322282379 /nfs/dbraw/zinc/28/23/79/1322282379.db2.gz YUDNLQJQOYTVJC-GFCCVEGCSA-N 2 1 329.238 2.477 20 10 EECDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC001205558916 1323194565 /nfs/dbraw/zinc/19/45/65/1323194565.db2.gz LNZHXVNKJSULEI-IBGZPJMESA-N 2 1 335.467 2.301 20 10 EECDMP CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001323980749 1333583000 /nfs/dbraw/zinc/58/30/00/1333583000.db2.gz YLPCUVOSCPOXJK-HXUWFJFHSA-N 2 1 331.504 2.279 20 10 EECDMP C[N@@H+]1C[C@@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)[C@@H]2C1 ZINC001345660084 1337455767 /nfs/dbraw/zinc/45/57/67/1337455767.db2.gz IWRLHZDYWHDPFI-FXAWDEMLSA-N 2 1 346.494 2.104 20 10 EECDMP C[N@H+]1C[C@@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)c(F)c3)[C@@H]2C1 ZINC001345660084 1337455770 /nfs/dbraw/zinc/45/57/70/1337455770.db2.gz IWRLHZDYWHDPFI-FXAWDEMLSA-N 2 1 346.494 2.104 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001755693588 1407738929 /nfs/dbraw/zinc/73/89/29/1407738929.db2.gz QOEALVGHJZIWDB-SJLPKXTDSA-N 2 1 347.503 2.423 20 10 EECDMP COc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000809741319 783349422 /nfs/dbraw/zinc/34/94/22/783349422.db2.gz MTSQSHUOGCBRRD-MRXNPFEDSA-N 2 1 333.476 2.001 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)C[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001129423550 810836146 /nfs/dbraw/zinc/83/61/46/810836146.db2.gz UUSPAOPFMDKBFD-SFHVURJKSA-N 2 1 347.503 2.472 20 10 EECDMP COc1cc(Cl)cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000290238126 464111681 /nfs/dbraw/zinc/11/16/81/464111681.db2.gz UIWSUCQZQCYWEB-UHFFFAOYSA-N 2 1 343.899 2.370 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000362688185 465943222 /nfs/dbraw/zinc/94/32/22/465943222.db2.gz SWXHOCPMGOVKFE-IEBWSBKVSA-N 2 1 331.504 2.467 20 10 EECDMP CCOc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000370704795 466972956 /nfs/dbraw/zinc/97/29/56/466972956.db2.gz BKXRUWWZYLRTMK-SJLPKXTDSA-N 2 1 347.503 2.249 20 10 EECDMP CCOc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377620489 467098546 /nfs/dbraw/zinc/09/85/46/467098546.db2.gz DQORRBPGZZRIGJ-SFHVURJKSA-N 2 1 347.503 2.391 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000775726228 577444006 /nfs/dbraw/zinc/44/40/06/577444006.db2.gz PZSISKUZSGVSKC-RTBURBONSA-N 2 1 329.488 2.297 20 10 EECDMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)c1 ZINC000770353279 577594461 /nfs/dbraw/zinc/59/44/61/577594461.db2.gz ZDEJSIPKJCYZDC-VDZJLULYSA-N 2 1 334.460 2.474 20 10 EECDMP COc1ccc(C[N@@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000757917318 577866450 /nfs/dbraw/zinc/86/64/50/577866450.db2.gz CONILRBVNNLMRE-UHFFFAOYSA-N 2 1 340.471 2.474 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC001235433079 1305227009 /nfs/dbraw/zinc/22/70/09/1305227009.db2.gz ZKPNIKJJMVXVTE-VQTJNVASSA-N 3 1 342.531 2.308 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C(=O)OC)C3)cc2)CC1 ZINC001140300888 1314859166 /nfs/dbraw/zinc/85/91/66/1314859166.db2.gz VVKNCVZHWAFPLK-SFHVURJKSA-N 2 1 345.487 2.214 20 10 EECDMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000840761047 1315408796 /nfs/dbraw/zinc/40/87/96/1315408796.db2.gz ONLHRSBIFWJRGR-DZGCQCFKSA-N 2 1 339.430 2.374 20 10 EECDMP C[C@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000840761047 1315408801 /nfs/dbraw/zinc/40/88/01/1315408801.db2.gz ONLHRSBIFWJRGR-DZGCQCFKSA-N 2 1 339.430 2.374 20 10 EECDMP C[N@H+]1CC[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001255420151 1318399493 /nfs/dbraw/zinc/39/94/93/1318399493.db2.gz KTPOVAPOFRMOQI-MJXNMMHHSA-N 2 1 327.428 2.133 20 10 EECDMP CCOc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)c1O ZINC001203609737 1321922663 /nfs/dbraw/zinc/92/26/63/1321922663.db2.gz IYBJUCSPJSGIJL-DLBZAZTESA-N 2 1 333.476 2.001 20 10 EECDMP [NH3+]C[C@]1(O)CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001205230743 1322323369 /nfs/dbraw/zinc/32/33/69/1322323369.db2.gz UQOSDAJCOPVUAD-FQEVSTJZSA-N 2 1 329.488 2.061 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001206310740 1323452889 /nfs/dbraw/zinc/45/28/89/1323452889.db2.gz BIDAZDGETZOQFN-IBGZPJMESA-N 3 1 335.492 2.413 20 10 EECDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210811135 1325444963 /nfs/dbraw/zinc/44/49/63/1325444963.db2.gz JTGVUTPVFAQITO-GOSISDBHSA-N 2 1 347.503 2.426 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCOC(F)(F)F)cc2F)CC1 ZINC001320664785 1332932262 /nfs/dbraw/zinc/93/22/62/1332932262.db2.gz RAQJNEXKTRWZPF-UHFFFAOYSA-N 2 1 335.345 2.204 20 10 EECDMP CCn1ccc(CNCc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001327395049 1334284009 /nfs/dbraw/zinc/28/40/09/1334284009.db2.gz PZFCYHDOLLPISU-UHFFFAOYSA-N 2 1 331.439 2.084 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](n4cccn4)C3)cc2F)CC1 ZINC001330082010 1334775770 /nfs/dbraw/zinc/77/57/70/1334775770.db2.gz VJMXHYOYNMYPJA-KRWDZBQOSA-N 2 1 343.450 2.221 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](n4cccn4)C3)cc2F)CC1 ZINC001330082010 1334775775 /nfs/dbraw/zinc/77/57/75/1334775775.db2.gz VJMXHYOYNMYPJA-KRWDZBQOSA-N 2 1 343.450 2.221 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3C(C)(C)O)cc2F)CC1 ZINC001116674531 1371732517 /nfs/dbraw/zinc/73/25/17/1371732517.db2.gz ANOJTHDLHDOJRO-SFHVURJKSA-N 2 1 335.467 2.313 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)(C)O)cc2F)CC1 ZINC001116674531 1371732520 /nfs/dbraw/zinc/73/25/20/1371732520.db2.gz ANOJTHDLHDOJRO-SFHVURJKSA-N 2 1 335.467 2.313 20 10 EECDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001755663768 1407713472 /nfs/dbraw/zinc/71/34/72/1407713472.db2.gz OCYVASZUOFVVMR-FUHWJXTLSA-N 2 1 347.503 2.424 20 10 EECDMP C[NH+]1CCN(c2ccc(CNc3c[nH+]c4c(c3)CCCN4)cc2)CC1 ZINC001167436983 759391626 /nfs/dbraw/zinc/39/16/26/759391626.db2.gz JXIROMHOSJRHFM-UHFFFAOYSA-N 2 1 337.471 2.091 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000362688187 465942120 /nfs/dbraw/zinc/94/21/20/465942120.db2.gz SWXHOCPMGOVKFE-PKOBYXMFSA-N 2 1 331.504 2.467 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000775726227 577443912 /nfs/dbraw/zinc/44/39/12/577443912.db2.gz PZSISKUZSGVSKC-RBUKOAKNSA-N 2 1 329.488 2.297 20 10 EECDMP CCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1 ZINC000769525579 577579735 /nfs/dbraw/zinc/57/97/35/577579735.db2.gz IPWUDOVPQRTNOM-VQIMIIECSA-N 2 1 347.503 2.249 20 10 EECDMP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC001026733922 684925400 /nfs/dbraw/zinc/92/54/00/684925400.db2.gz JUTRKJHUSWNCGD-ZWKOTPCHSA-N 2 1 345.487 2.036 20 10 EECDMP Oc1ccc(F)cc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702623431 1196032815 /nfs/dbraw/zinc/03/28/15/1196032815.db2.gz IDFZNCICNVIKSZ-IBGZPJMESA-N 2 1 330.403 2.258 20 10 EECDMP Oc1ccc(F)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000702623431 1196032819 /nfs/dbraw/zinc/03/28/19/1196032819.db2.gz IDFZNCICNVIKSZ-IBGZPJMESA-N 2 1 330.403 2.258 20 10 EECDMP COc1cccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1O ZINC001275273826 1205296237 /nfs/dbraw/zinc/29/62/37/1205296237.db2.gz XPTPSZCXGUFSEB-UHFFFAOYSA-N 2 1 342.443 2.222 20 10 EECDMP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1O ZINC000779052217 1208480397 /nfs/dbraw/zinc/48/03/97/1208480397.db2.gz ONATXZJBYYSVNJ-ABAIWWIYSA-N 2 1 343.265 2.180 20 10 EECDMP Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1O ZINC000779052217 1208480399 /nfs/dbraw/zinc/48/03/99/1208480399.db2.gz ONATXZJBYYSVNJ-ABAIWWIYSA-N 2 1 343.265 2.180 20 10 EECDMP CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863552766 1296331639 /nfs/dbraw/zinc/33/16/39/1296331639.db2.gz PKKGDOKWBMASHN-HXUWFJFHSA-N 2 1 331.504 2.469 20 10 EECDMP Cc1cccc(C[N@H+]2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001231593495 1303859410 /nfs/dbraw/zinc/85/94/10/1303859410.db2.gz QRMGDEPCGKECPM-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001231593495 1303859416 /nfs/dbraw/zinc/85/94/16/1303859416.db2.gz QRMGDEPCGKECPM-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001231593495 1303859420 /nfs/dbraw/zinc/85/94/20/1303859420.db2.gz QRMGDEPCGKECPM-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001231593495 1303859423 /nfs/dbraw/zinc/85/94/23/1303859423.db2.gz QRMGDEPCGKECPM-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4cnn(C)c4)CC[C@@H]3C2)c1O ZINC001231593495 1303859425 /nfs/dbraw/zinc/85/94/25/1303859425.db2.gz QRMGDEPCGKECPM-IEBWSBKVSA-N 2 1 340.471 2.388 20 10 EECDMP OC1CCN(c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC001236319486 1305560322 /nfs/dbraw/zinc/56/03/22/1305560322.db2.gz ASTNSHCLGZGKPI-HDICACEKSA-N 2 1 329.488 2.079 20 10 EECDMP C[NH+]1CCC2(C[NH+](Cc3cc(O)c(Br)cc3O)C2)CC1 ZINC001236762279 1305665084 /nfs/dbraw/zinc/66/50/84/1305665084.db2.gz NLYRPDOCODVODN-UHFFFAOYSA-N 2 1 341.249 2.388 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)CC3CCC3)cc2F)CC1 ZINC001117674213 1306142984 /nfs/dbraw/zinc/14/29/84/1306142984.db2.gz YEGKXFSAAFNLHZ-KRWDZBQOSA-N 2 1 335.467 2.218 20 10 EECDMP CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318740676 1332585296 /nfs/dbraw/zinc/58/52/96/1332585296.db2.gz TZDDYRJJCGTZKG-BEFAXECRSA-N 2 1 337.483 2.464 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)C(C)(C)C3)cc2F)CC1 ZINC001320699240 1332937138 /nfs/dbraw/zinc/93/71/38/1332937138.db2.gz NNYVAUWYTYCAPK-GOSISDBHSA-N 2 1 335.467 2.170 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](O)C(C)(C)C3)cc2F)CC1 ZINC001320699240 1332937142 /nfs/dbraw/zinc/93/71/42/1332937142.db2.gz NNYVAUWYTYCAPK-GOSISDBHSA-N 2 1 335.467 2.170 20 10 EECDMP CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001323324483 1333442093 /nfs/dbraw/zinc/44/20/93/1333442093.db2.gz VXZFGDKEWYVPSA-IAGOWNOFSA-N 2 1 348.510 2.492 20 10 EECDMP CC[N@H+]1C[C@@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001323324483 1333442097 /nfs/dbraw/zinc/44/20/97/1333442097.db2.gz VXZFGDKEWYVPSA-IAGOWNOFSA-N 2 1 348.510 2.492 20 10 EECDMP CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001325892184 1333986042 /nfs/dbraw/zinc/98/60/42/1333986042.db2.gz UPRQWNCZFSZDFG-IBGZPJMESA-N 2 1 345.487 2.356 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000848718836 1373170622 /nfs/dbraw/zinc/17/06/22/1373170622.db2.gz RBEOOYNPSZIWMB-IAGOWNOFSA-N 2 1 334.483 2.327 20 10 EECDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(N3CC[NH+](C)CC3)cc1)CC[NH2+]CC2 ZINC000818431664 785254526 /nfs/dbraw/zinc/25/45/26/785254526.db2.gz QVBDHBBFVYQPGR-SFHVURJKSA-N 3 1 342.531 2.402 20 10 EECDMP C[C@H]1CC2(C[N@@H+]1Cc1ccc(N3CCN(C)CC3)cc1)CC[NH2+]CC2 ZINC000818431664 785254532 /nfs/dbraw/zinc/25/45/32/785254532.db2.gz QVBDHBBFVYQPGR-SFHVURJKSA-N 2 1 342.531 2.402 20 10 EECDMP C[C@H]1CC2(C[N@H+]1Cc1ccc(N3CCN(C)CC3)cc1)CC[NH2+]CC2 ZINC000818431664 785254537 /nfs/dbraw/zinc/25/45/37/785254537.db2.gz QVBDHBBFVYQPGR-SFHVURJKSA-N 2 1 342.531 2.402 20 10 EECDMP CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)cc2)CC1 ZINC000819040130 785372129 /nfs/dbraw/zinc/37/21/29/785372129.db2.gz VYFWRRUORLKPRO-HXUWFJFHSA-N 2 1 331.504 2.468 20 10 EECDMP CC1CCN(c2ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)cc2)CC1 ZINC000819040130 785372134 /nfs/dbraw/zinc/37/21/34/785372134.db2.gz VYFWRRUORLKPRO-HXUWFJFHSA-N 2 1 331.504 2.468 20 10 EECDMP COCC[NH+]1CCC([NH2+]C2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000360868881 465619380 /nfs/dbraw/zinc/61/93/80/465619380.db2.gz ANJVXOHAIUEORF-UHFFFAOYSA-N 2 1 347.503 2.364 20 10 EECDMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834871 467149457 /nfs/dbraw/zinc/14/94/57/467149457.db2.gz OVOUKNVQWIOEQG-UYAOXDASSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834871 467149458 /nfs/dbraw/zinc/14/94/58/467149458.db2.gz OVOUKNVQWIOEQG-UYAOXDASSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834871 467149461 /nfs/dbraw/zinc/14/94/61/467149461.db2.gz OVOUKNVQWIOEQG-UYAOXDASSA-N 2 1 329.488 2.439 20 10 EECDMP CC[N@H+]1C[C@@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775711910 577443395 /nfs/dbraw/zinc/44/33/95/577443395.db2.gz KBVLHNOTXOUWRS-ZWKOTPCHSA-N 2 1 330.520 2.353 20 10 EECDMP CCN1C[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775711910 577443396 /nfs/dbraw/zinc/44/33/96/577443396.db2.gz KBVLHNOTXOUWRS-ZWKOTPCHSA-N 2 1 330.520 2.353 20 10 EECDMP CCN1C[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC000775711910 577443397 /nfs/dbraw/zinc/44/33/97/577443397.db2.gz KBVLHNOTXOUWRS-ZWKOTPCHSA-N 2 1 330.520 2.353 20 10 EECDMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1C ZINC000756551659 577846527 /nfs/dbraw/zinc/84/65/27/577846527.db2.gz WGTFNFMBFITLCR-HZPDHXFCSA-N 2 1 333.476 2.247 20 10 EECDMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000702587168 1196021162 /nfs/dbraw/zinc/02/11/62/1196021162.db2.gz LUHCARNIEQKYEY-HIFRSBDPSA-N 2 1 343.265 2.262 20 10 EECDMP COc1ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001275275313 1205295358 /nfs/dbraw/zinc/29/53/58/1205295358.db2.gz GOAOSAIVCMZRGZ-UHFFFAOYSA-N 2 1 342.443 2.222 20 10 EECDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001275952600 1205600269 /nfs/dbraw/zinc/60/02/69/1205600269.db2.gz IRVHKXVGISCVHU-HXUWFJFHSA-N 2 1 347.503 2.337 20 10 EECDMP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC000961641437 1217256269 /nfs/dbraw/zinc/25/62/69/1217256269.db2.gz NYOCGJBRHMUUBP-ABHNRTSZSA-N 2 1 345.487 2.082 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2)CC1 ZINC000850350357 1277193954 /nfs/dbraw/zinc/19/39/54/1277193954.db2.gz AUHFDFPKSVCUFB-GOSISDBHSA-N 2 1 330.520 2.401 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@H+](C(C)(C)C)C3)cc2)CC1 ZINC000850350357 1277193956 /nfs/dbraw/zinc/19/39/56/1277193956.db2.gz AUHFDFPKSVCUFB-GOSISDBHSA-N 2 1 330.520 2.401 20 10 EECDMP COc1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)on1 ZINC000926853990 1296941816 /nfs/dbraw/zinc/94/18/16/1296941816.db2.gz KMXRORBJVKMKSY-CQSZACIVSA-N 2 1 330.432 2.286 20 10 EECDMP CCOC(=O)[C@]12C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@H]1C[NH2+]CC2 ZINC001236039905 1305483053 /nfs/dbraw/zinc/48/30/53/1305483053.db2.gz AOUHYNJBWOVENS-CXAGYDPISA-N 2 1 338.835 2.020 20 10 EECDMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001236089740 1305499996 /nfs/dbraw/zinc/49/99/96/1305499996.db2.gz FDPFETFMXHRKDP-YJBOKZPZSA-N 2 1 333.476 2.116 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CCCC[C@@H]4C3)c(F)c2)CC1 ZINC001236940890 1305738710 /nfs/dbraw/zinc/73/87/10/1305738710.db2.gz VTCQAIPUNBQFKI-LJQANCHMSA-N 2 1 346.494 2.248 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253332 1314721495 /nfs/dbraw/zinc/72/14/95/1314721495.db2.gz RBVOCWXWZCMXDH-RDJZCZTQSA-N 2 1 334.460 2.463 20 10 EECDMP COc1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc(C[NH+](C)C)c1O ZINC001139258295 1314722761 /nfs/dbraw/zinc/72/27/61/1314722761.db2.gz PDKBTJZYQUWYOK-UHFFFAOYSA-N 3 1 347.503 2.380 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(CO)CC3)cc2)CC1 ZINC001139408654 1314740113 /nfs/dbraw/zinc/74/01/13/1314740113.db2.gz OJQDPRQILABFMW-FQEVSTJZSA-N 2 1 331.504 2.423 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)[C@@H]3CO)cc2)CC1 ZINC001140302661 1314861144 /nfs/dbraw/zinc/86/11/44/1314861144.db2.gz WZMDFGDSXHTAEN-XLIONFOSSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC001140304668 1314862695 /nfs/dbraw/zinc/86/26/95/1314862695.db2.gz XVEDRNBELNRBNX-OAQYLSRUSA-N 2 1 342.531 2.499 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCOC[C@H]3C3CC3)cc2)CC1 ZINC001140309579 1314864579 /nfs/dbraw/zinc/86/45/79/1314864579.db2.gz MITFGIFGTUOXQG-FQEVSTJZSA-N 2 1 329.488 2.439 20 10 EECDMP COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841006040 1315453187 /nfs/dbraw/zinc/45/31/87/1315453187.db2.gz GVUGLMACSUHTLQ-STQMWFEESA-N 2 1 340.851 2.409 20 10 EECDMP COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000841006040 1315453191 /nfs/dbraw/zinc/45/31/91/1315453191.db2.gz GVUGLMACSUHTLQ-STQMWFEESA-N 2 1 340.851 2.409 20 10 EECDMP COC(=O)c1c(C[N@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001206187546 1323419316 /nfs/dbraw/zinc/41/93/16/1323419316.db2.gz UGMBBICPYBPWFK-CABCVRRESA-N 2 1 333.407 2.226 20 10 EECDMP COC(=O)c1c(C[N@@H+]2CC[C@@H](F)[C@@H]([NH3+])CC2)c2ccccc2n1C ZINC001206187546 1323419318 /nfs/dbraw/zinc/41/93/18/1323419318.db2.gz UGMBBICPYBPWFK-CABCVRRESA-N 2 1 333.407 2.226 20 10 EECDMP CC(C)[N@@H+](Cc1cc2c(cc1O)OCC[NH2+]C2)[C@@H]1CCC[NH2+]CC1 ZINC001206598722 1323542439 /nfs/dbraw/zinc/54/24/39/1323542439.db2.gz LPDCZDPLCOFZSO-QGZVFWFLSA-N 3 1 333.476 2.227 20 10 EECDMP CC(C)[N@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)[C@@H]1CCC[NH2+]CC1 ZINC001206598722 1323542443 /nfs/dbraw/zinc/54/24/43/1323542443.db2.gz LPDCZDPLCOFZSO-QGZVFWFLSA-N 2 1 333.476 2.227 20 10 EECDMP CC(C)[N@@H+](Cc1cc2c(cc1[O-])OCC[NH2+]C2)[C@@H]1CCC[NH2+]CC1 ZINC001206598722 1323542445 /nfs/dbraw/zinc/54/24/45/1323542445.db2.gz LPDCZDPLCOFZSO-QGZVFWFLSA-N 2 1 333.476 2.227 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H](C[NH3+])C3)cc2)CC1 ZINC001206622527 1323548860 /nfs/dbraw/zinc/54/88/60/1323548860.db2.gz DYKKZLKLMMKJSS-LJQANCHMSA-N 3 1 330.520 2.389 20 10 EECDMP C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321147047 1333031273 /nfs/dbraw/zinc/03/12/73/1333031273.db2.gz AFCWLUAKGORCBR-GOSISDBHSA-N 2 1 348.510 2.494 20 10 EECDMP C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324159130 1333621113 /nfs/dbraw/zinc/62/11/13/1333621113.db2.gz MWDFTMCCJXMHHF-HOTGVXAUSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324159130 1333621118 /nfs/dbraw/zinc/62/11/18/1333621118.db2.gz MWDFTMCCJXMHHF-HOTGVXAUSA-N 2 1 334.483 2.102 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428444 1334648200 /nfs/dbraw/zinc/64/82/00/1334648200.db2.gz RDYAAYKDENZYCT-YQVWRLOYSA-N 2 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428444 1334648201 /nfs/dbraw/zinc/64/82/01/1334648201.db2.gz RDYAAYKDENZYCT-YQVWRLOYSA-N 3 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428444 1334648204 /nfs/dbraw/zinc/64/82/04/1334648204.db2.gz RDYAAYKDENZYCT-YQVWRLOYSA-N 3 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](n4cccn4)C3)cc2F)CC1 ZINC001330082012 1334776158 /nfs/dbraw/zinc/77/61/58/1334776158.db2.gz VJMXHYOYNMYPJA-QGZVFWFLSA-N 2 1 343.450 2.221 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](n4cccn4)C3)cc2F)CC1 ZINC001330082012 1334776163 /nfs/dbraw/zinc/77/61/63/1334776163.db2.gz VJMXHYOYNMYPJA-QGZVFWFLSA-N 2 1 343.450 2.221 20 10 EECDMP C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001330333711 1334824877 /nfs/dbraw/zinc/82/48/77/1334824877.db2.gz IHNCQQWWORMZNP-DNVCBOLYSA-N 2 1 335.467 2.218 20 10 EECDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(N3CCCC3)cc2)CC1 ZINC001332639800 1335869780 /nfs/dbraw/zinc/86/97/80/1335869780.db2.gz QOZQKGHPEKFDFE-UHFFFAOYSA-N 2 1 330.520 2.404 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000848718840 1373170879 /nfs/dbraw/zinc/17/08/79/1373170879.db2.gz RBEOOYNPSZIWMB-SJORKVTESA-N 2 1 334.483 2.327 20 10 EECDMP C[C@H](CO)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CCC1 ZINC000809665058 783293184 /nfs/dbraw/zinc/29/31/84/783293184.db2.gz NPRUBSMESXHHLD-QGZVFWFLSA-N 2 1 331.504 2.421 20 10 EECDMP CCOc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000809741344 783349574 /nfs/dbraw/zinc/34/95/74/783349574.db2.gz NFBAVKSUEHGUNQ-GOSISDBHSA-N 2 1 347.503 2.391 20 10 EECDMP CCC[C@]1(CO)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809790158 783395267 /nfs/dbraw/zinc/39/52/67/783395267.db2.gz AYIYYXZYMWDESL-FQEVSTJZSA-N 2 1 331.504 2.423 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844225005 788916051 /nfs/dbraw/zinc/91/60/51/788916051.db2.gz SYYJRXABWBGQBN-NUJGCVRESA-N 2 1 346.519 2.016 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+] ZINC000844225005 788916063 /nfs/dbraw/zinc/91/60/63/788916063.db2.gz SYYJRXABWBGQBN-NUJGCVRESA-N 2 1 346.519 2.016 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC001086047379 802011674 /nfs/dbraw/zinc/01/16/74/802011674.db2.gz OKLREMDWATWNSW-FGTMMUONSA-N 2 1 345.487 2.082 20 10 EECDMP COC(=O)[C@@H](C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000792188288 809643701 /nfs/dbraw/zinc/64/37/01/809643701.db2.gz VFCBRQCVWRMORU-MRXNPFEDSA-N 2 1 345.487 2.354 20 10 EECDMP COC(=O)[C@@H](C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000792188288 809643706 /nfs/dbraw/zinc/64/37/06/809643706.db2.gz VFCBRQCVWRMORU-MRXNPFEDSA-N 2 1 345.487 2.354 20 10 EECDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2ccccc2c1O ZINC000185341514 463804287 /nfs/dbraw/zinc/80/42/87/463804287.db2.gz JSGRDSPZBFXAGG-HNNXBMFYSA-N 2 1 341.455 2.360 20 10 EECDMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000727466660 576428695 /nfs/dbraw/zinc/42/86/95/576428695.db2.gz AONAVJFRLPAKLU-IAGOWNOFSA-N 2 1 333.451 2.379 20 10 EECDMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000727466660 576428699 /nfs/dbraw/zinc/42/86/99/576428699.db2.gz AONAVJFRLPAKLU-IAGOWNOFSA-N 2 1 333.451 2.379 20 10 EECDMP COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776001046 577450373 /nfs/dbraw/zinc/45/03/73/577450373.db2.gz OJNNLPYAFPGMQU-VQIMIIECSA-N 2 1 345.487 2.212 20 10 EECDMP COC(=O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776001046 577450374 /nfs/dbraw/zinc/45/03/74/577450374.db2.gz OJNNLPYAFPGMQU-VQIMIIECSA-N 2 1 345.487 2.212 20 10 EECDMP COc1cccc(O)c1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000769191442 577572064 /nfs/dbraw/zinc/57/20/64/577572064.db2.gz ANAUQAZNRSDMNK-IRXDYDNUSA-N 2 1 347.503 2.391 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1C ZINC001022714296 678308588 /nfs/dbraw/zinc/30/85/88/678308588.db2.gz SZTZXXZPHTXERP-OLMNPRSZSA-N 2 1 345.487 2.082 20 10 EECDMP C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894769369 683076477 /nfs/dbraw/zinc/07/64/77/683076477.db2.gz FNAPBUPWXHTTGX-INIZCTEOSA-N 2 1 339.430 2.271 20 10 EECDMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1Cn1cccn1 ZINC000873140578 1198511850 /nfs/dbraw/zinc/51/18/50/1198511850.db2.gz QTPHLKOKRYTACW-UHFFFAOYSA-N 2 1 325.416 2.006 20 10 EECDMP Oc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275418608 1205351389 /nfs/dbraw/zinc/35/13/89/1205351389.db2.gz IADZCEWVICMEIV-IYBDPMFKSA-N 2 1 342.443 2.165 20 10 EECDMP Oc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275418608 1205351391 /nfs/dbraw/zinc/35/13/91/1205351391.db2.gz IADZCEWVICMEIV-IYBDPMFKSA-N 2 1 342.443 2.165 20 10 EECDMP Oc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c1 ZINC001275418608 1205351392 /nfs/dbraw/zinc/35/13/92/1205351392.db2.gz IADZCEWVICMEIV-IYBDPMFKSA-N 2 1 342.443 2.165 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCCC(=O)[C@@H]4C3)c(F)c2)CC1 ZINC001236949069 1305742196 /nfs/dbraw/zinc/74/21/96/1305742196.db2.gz ZLNSYTLCKLEOLY-MAUKXSAKSA-N 2 1 345.462 2.379 20 10 EECDMP COc1cc(CN2CC[C@@H]([N@@H+](C)C(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139258934 1314722877 /nfs/dbraw/zinc/72/28/77/1314722877.db2.gz BJBLBEXEJFVBJR-QGZVFWFLSA-N 2 1 335.492 2.377 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@](O)(CF)C3)cc2)CC1 ZINC001139409290 1314741221 /nfs/dbraw/zinc/74/12/21/1314741221.db2.gz ZPFBYOOQAPMZNW-IBGZPJMESA-N 2 1 335.467 2.125 20 10 EECDMP COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139413181 1314741721 /nfs/dbraw/zinc/74/17/21/1314741721.db2.gz STIJWTAQHRMHAO-SFHVURJKSA-N 2 1 345.487 2.214 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843121244 1315848142 /nfs/dbraw/zinc/84/81/42/1315848142.db2.gz HCRFHUXXMFFFKW-QGZVFWFLSA-N 2 1 334.483 2.151 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002741 1323367650 /nfs/dbraw/zinc/36/76/50/1323367650.db2.gz AFENOFIRACKVKX-HKUYNNGSSA-N 3 1 330.520 2.245 20 10 EECDMP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002741 1323367651 /nfs/dbraw/zinc/36/76/51/1323367651.db2.gz AFENOFIRACKVKX-HKUYNNGSSA-N 2 1 330.520 2.245 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002741 1323367656 /nfs/dbraw/zinc/36/76/56/1323367656.db2.gz AFENOFIRACKVKX-HKUYNNGSSA-N 2 1 330.520 2.245 20 10 EECDMP COC[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337033513 1336634114 /nfs/dbraw/zinc/63/41/14/1336634114.db2.gz WPSANJKBICOSHX-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP COC[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337033513 1336634116 /nfs/dbraw/zinc/63/41/16/1336634116.db2.gz WPSANJKBICOSHX-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP CC[C@@H](C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1)[NH+](C)C ZINC001089834581 777424725 /nfs/dbraw/zinc/42/47/25/777424725.db2.gz JCIVIEQBYCDFJD-KRWDZBQOSA-N 2 1 345.491 2.076 20 10 EECDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@@H]1C ZINC001179983197 800198609 /nfs/dbraw/zinc/19/86/09/800198609.db2.gz OCYVASZUOFVVMR-WMZOPIPTSA-N 2 1 347.503 2.424 20 10 EECDMP CCCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1O ZINC000282433270 464817219 /nfs/dbraw/zinc/81/72/19/464817219.db2.gz KGXAVTPQCRVDTE-UHFFFAOYSA-N 2 1 333.476 2.158 20 10 EECDMP CCCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1O ZINC000282433270 464817222 /nfs/dbraw/zinc/81/72/22/464817222.db2.gz KGXAVTPQCRVDTE-UHFFFAOYSA-N 2 1 333.476 2.158 20 10 EECDMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834869 467149174 /nfs/dbraw/zinc/14/91/74/467149174.db2.gz OVOUKNVQWIOEQG-ICSRJNTNSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834869 467149176 /nfs/dbraw/zinc/14/91/76/467149176.db2.gz OVOUKNVQWIOEQG-ICSRJNTNSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834869 467149178 /nfs/dbraw/zinc/14/91/78/467149178.db2.gz OVOUKNVQWIOEQG-ICSRJNTNSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2)CC1 ZINC000775649923 577441782 /nfs/dbraw/zinc/44/17/82/577441782.db2.gz UWACQXQZPBRENV-GOSISDBHSA-N 2 1 329.488 2.439 20 10 EECDMP C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777220052 577475195 /nfs/dbraw/zinc/47/51/95/577475195.db2.gz OMUWPADDZLLRAF-MRXNPFEDSA-N 2 1 346.519 2.173 20 10 EECDMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000763613970 577723427 /nfs/dbraw/zinc/72/34/27/577723427.db2.gz KWQINJRNBARHKJ-LJQANCHMSA-N 3 1 330.520 2.355 20 10 EECDMP C[NH+](C)[C@@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000763613970 577723428 /nfs/dbraw/zinc/72/34/28/577723428.db2.gz KWQINJRNBARHKJ-LJQANCHMSA-N 2 1 330.520 2.355 20 10 EECDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000756550848 577846488 /nfs/dbraw/zinc/84/64/88/577846488.db2.gz SUNZXNTUCQHUIS-STQMWFEESA-N 2 1 339.867 2.284 20 10 EECDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877524979 1199956523 /nfs/dbraw/zinc/95/65/23/1199956523.db2.gz MSOYJUQJAMVTJV-SFHVURJKSA-N 2 1 331.504 2.468 20 10 EECDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531955 1199958063 /nfs/dbraw/zinc/95/80/63/1199958063.db2.gz SHOWBNGZEZQIRY-JXFKEZNVSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531955 1199958065 /nfs/dbraw/zinc/95/80/65/1199958065.db2.gz SHOWBNGZEZQIRY-JXFKEZNVSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531955 1199958068 /nfs/dbraw/zinc/95/80/68/1199958068.db2.gz SHOWBNGZEZQIRY-JXFKEZNVSA-N 2 1 331.504 2.420 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877531955 1199958070 /nfs/dbraw/zinc/95/80/70/1199958070.db2.gz SHOWBNGZEZQIRY-JXFKEZNVSA-N 2 1 331.504 2.420 20 10 EECDMP Cc1ccc(O)c(C[NH+]2CCC3(CC[N@H+](CC(=O)N(C)C)C3)CC2)c1 ZINC001275311746 1205306002 /nfs/dbraw/zinc/30/60/02/1205306002.db2.gz LKSBGRXRMYLLIW-UHFFFAOYSA-N 2 1 345.487 2.077 20 10 EECDMP COc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)cc1C ZINC001044959922 1233404776 /nfs/dbraw/zinc/40/47/76/1233404776.db2.gz PPCCDVIEUFFUDS-ZWKOTPCHSA-N 2 1 345.487 2.178 20 10 EECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](C)C1 ZINC000850565834 1277268715 /nfs/dbraw/zinc/26/87/15/1277268715.db2.gz IDYUBUSBAKBMQG-OXJNMPFZSA-N 2 1 331.504 2.468 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256090 1314722005 /nfs/dbraw/zinc/72/20/05/1314722005.db2.gz SSUDJFROZMFZNM-KUHUBIRLSA-N 2 1 336.476 2.445 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3C(=O)OC)cc2)CC1 ZINC001140302517 1314861578 /nfs/dbraw/zinc/86/15/78/1314861578.db2.gz SXBIFLKRQIHKRP-IBGZPJMESA-N 2 1 345.487 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@H]3C(=O)OC)cc2)CC1 ZINC001140302517 1314861582 /nfs/dbraw/zinc/86/15/82/1314861582.db2.gz SXBIFLKRQIHKRP-IBGZPJMESA-N 2 1 345.487 2.356 20 10 EECDMP CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841005280 1315452997 /nfs/dbraw/zinc/45/29/97/1315452997.db2.gz KKALZDRURJUCGH-SFHVURJKSA-N 2 1 346.519 2.160 20 10 EECDMP CN1CCN(c2ccc(C[NH2+]Cc3ccc(CC[NH3+])cc3)cc2)CC1 ZINC000841032088 1315459349 /nfs/dbraw/zinc/45/93/49/1315459349.db2.gz JXXLMRHXMVLOLN-UHFFFAOYSA-N 2 1 338.499 2.229 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843057049 1315831826 /nfs/dbraw/zinc/83/18/26/1315831826.db2.gz FRQLASCEMWXEFZ-ZJUUUORDSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1O ZINC000843057049 1315831830 /nfs/dbraw/zinc/83/18/30/1315831830.db2.gz FRQLASCEMWXEFZ-ZJUUUORDSA-N 2 1 329.238 2.332 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1C[NH3+] ZINC001205651419 1323229156 /nfs/dbraw/zinc/22/91/56/1323229156.db2.gz DZJDRJCUYNNTRN-IRXDYDNUSA-N 3 1 348.510 2.384 20 10 EECDMP C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@H]1C[NH3+] ZINC001205651419 1323229165 /nfs/dbraw/zinc/22/91/65/1323229165.db2.gz DZJDRJCUYNNTRN-IRXDYDNUSA-N 2 1 348.510 2.384 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@H]1C[NH3+] ZINC001205651419 1323229175 /nfs/dbraw/zinc/22/91/75/1323229175.db2.gz DZJDRJCUYNNTRN-IRXDYDNUSA-N 2 1 348.510 2.384 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205651417 1323229525 /nfs/dbraw/zinc/22/95/25/1323229525.db2.gz DZJDRJCUYNNTRN-DLBZAZTESA-N 3 1 348.510 2.384 20 10 EECDMP C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205651417 1323229534 /nfs/dbraw/zinc/22/95/34/1323229534.db2.gz DZJDRJCUYNNTRN-DLBZAZTESA-N 2 1 348.510 2.384 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205651417 1323229542 /nfs/dbraw/zinc/22/95/42/1323229542.db2.gz DZJDRJCUYNNTRN-DLBZAZTESA-N 2 1 348.510 2.384 20 10 EECDMP Cc1nnc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)s1 ZINC001323879686 1333566060 /nfs/dbraw/zinc/56/60/60/1333566060.db2.gz FEXCSAZIESUKSU-UHFFFAOYSA-N 2 1 349.479 2.070 20 10 EECDMP CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001327952401 1334369162 /nfs/dbraw/zinc/36/91/62/1334369162.db2.gz RCQXKMKMKJSYIY-KUHUBIRLSA-N 2 1 335.467 2.481 20 10 EECDMP CCOc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(O)c1 ZINC000809741345 783348427 /nfs/dbraw/zinc/34/84/27/783348427.db2.gz NFBAVKSUEHGUNQ-SFHVURJKSA-N 2 1 347.503 2.391 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cc2F)CC1 ZINC000817902290 785054862 /nfs/dbraw/zinc/05/48/62/785054862.db2.gz MKIQPJLDXNJAFH-LPHOPBHVSA-N 2 1 348.510 2.445 20 10 EECDMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC000999831870 795032346 /nfs/dbraw/zinc/03/23/46/795032346.db2.gz NBLRXMUEVDKFAD-AOCRQIFASA-N 2 1 345.487 2.034 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC001086327725 802749925 /nfs/dbraw/zinc/74/99/25/802749925.db2.gz OKLREMDWATWNSW-KZNAEPCWSA-N 2 1 345.487 2.082 20 10 EECDMP Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1O ZINC000808690503 812796171 /nfs/dbraw/zinc/79/61/71/812796171.db2.gz FAHYIUAONUVCTB-CYBMUJFWSA-N 2 1 339.867 2.169 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C4OCCO4)C3)cc2)CC1 ZINC000775675427 577442425 /nfs/dbraw/zinc/44/24/25/577442425.db2.gz ZQMWWNHSBNTUNG-SFHVURJKSA-N 2 1 345.487 2.023 20 10 EECDMP OC1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000876929030 1199821835 /nfs/dbraw/zinc/82/18/35/1199821835.db2.gz FZXHLPZFYLGEGD-QGZVFWFLSA-N 2 1 329.488 2.222 20 10 EECDMP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001275773211 1205520613 /nfs/dbraw/zinc/52/06/13/1205520613.db2.gz HEQKEKRLWGAQCP-UHFFFAOYSA-N 2 1 339.430 2.130 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1C ZINC001019381259 1229050939 /nfs/dbraw/zinc/05/09/39/1229050939.db2.gz CTYAPOUGKIZNFP-WMZOPIPTSA-N 2 1 345.487 2.178 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4cccc(O)c4C3)cn2)CC1 ZINC001232361959 1304094355 /nfs/dbraw/zinc/09/43/55/1304094355.db2.gz GWJRMRRHDJHPFZ-UHFFFAOYSA-N 2 1 338.455 2.097 20 10 EECDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235064658 1305102818 /nfs/dbraw/zinc/10/28/18/1305102818.db2.gz SCHBQMFXKDYLIW-HXUWFJFHSA-N 2 1 341.430 2.336 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C[NH2+]CCO2 ZINC001235420770 1305225015 /nfs/dbraw/zinc/22/50/15/1305225015.db2.gz ASBBNAPGIZJELO-HZPDHXFCSA-N 3 1 345.487 2.086 20 10 EECDMP c1ccc([C@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CCN2)cc1 ZINC001235852462 1305425080 /nfs/dbraw/zinc/42/50/80/1305425080.db2.gz DZQWUUSKTNIQLK-OAQYLSRUSA-N 2 1 336.483 2.243 20 10 EECDMP c1ccc([C@H]2CN(Cc3ccc(N4CC[NH2+]CC4)cc3)CC[NH2+]2)cc1 ZINC001235852462 1305425093 /nfs/dbraw/zinc/42/50/93/1305425093.db2.gz DZQWUUSKTNIQLK-OAQYLSRUSA-N 2 1 336.483 2.243 20 10 EECDMP Cc1cc(Cl)cc(C[NH+]2CCN(CCC[NH+](C)C)CC2)c1O ZINC001237686798 1306048593 /nfs/dbraw/zinc/04/85/93/1306048593.db2.gz OLAHYUQUFVPQJN-UHFFFAOYSA-N 2 1 325.884 2.423 20 10 EECDMP COc1cc(CN2CC[C@H]([N@@H+](C)C(C)C)C2)cc(C[NH+](C)C)c1O ZINC001139258933 1314722725 /nfs/dbraw/zinc/72/27/25/1314722725.db2.gz BJBLBEXEJFVBJR-KRWDZBQOSA-N 2 1 335.492 2.377 20 10 EECDMP CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000841093073 1315473506 /nfs/dbraw/zinc/47/35/06/1315473506.db2.gz QJZSGUKQZZZFDF-FQEVSTJZSA-N 2 1 327.472 2.465 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843056932 1315831512 /nfs/dbraw/zinc/83/15/12/1315831512.db2.gz CPQFQCZODWQXTA-UWVGGRQHSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1O ZINC000843056932 1315831514 /nfs/dbraw/zinc/83/15/14/1315831514.db2.gz CPQFQCZODWQXTA-UWVGGRQHSA-N 2 1 329.238 2.332 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1C ZINC000843058124 1315831938 /nfs/dbraw/zinc/83/19/38/1315831938.db2.gz PVGHHFRMBFJHQB-AEFFLSMTSA-N 2 1 345.487 2.089 20 10 EECDMP Fc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843125226 1315849534 /nfs/dbraw/zinc/84/95/34/1315849534.db2.gz OLOKCSYHOUJGNZ-QZTJIDSGSA-N 2 1 347.478 2.484 20 10 EECDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC001205771988 1323293332 /nfs/dbraw/zinc/29/33/32/1323293332.db2.gz XPJSTTAQEQJENC-HNNXBMFYSA-N 2 1 339.430 2.064 20 10 EECDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC001205771988 1323293336 /nfs/dbraw/zinc/29/33/36/1323293336.db2.gz XPJSTTAQEQJENC-HNNXBMFYSA-N 2 1 339.430 2.064 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC001308204584 1331572392 /nfs/dbraw/zinc/57/23/92/1331572392.db2.gz ACRRMGMCQRUGOM-WOJBJXKFSA-N 2 1 328.504 2.155 20 10 EECDMP C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)O1 ZINC001325291540 1333858900 /nfs/dbraw/zinc/85/89/00/1333858900.db2.gz UDNIZTSDEHHVEU-INMHGKMJSA-N 2 1 335.467 2.481 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cc2F)CC1 ZINC001325319618 1333862695 /nfs/dbraw/zinc/86/26/95/1333862695.db2.gz MNCKGXKIAOECPX-QAQDUYKDSA-N 3 1 348.510 2.432 20 10 EECDMP C[C@@H](CO)C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001326475669 1334100887 /nfs/dbraw/zinc/10/08/87/1334100887.db2.gz OERCJLFMFXVKBE-INIZCTEOSA-N 2 1 349.494 2.418 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cc2F)CC1 ZINC001331418968 1335010544 /nfs/dbraw/zinc/01/05/44/1335010544.db2.gz MOXHDCYBIGGOSY-SJLPKXTDSA-N 3 1 334.483 2.185 20 10 EECDMP COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337042841 1336635407 /nfs/dbraw/zinc/63/54/07/1336635407.db2.gz SXYSISGIGCDSCO-MRXNPFEDSA-N 2 1 349.450 2.105 20 10 EECDMP COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001337042841 1336635410 /nfs/dbraw/zinc/63/54/10/1336635410.db2.gz SXYSISGIGCDSCO-MRXNPFEDSA-N 2 1 349.450 2.105 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C3)CCCOC4)cc2)CC1 ZINC000793619647 810441106 /nfs/dbraw/zinc/44/11/06/810441106.db2.gz JLHVETMKUKUGAV-HXUWFJFHSA-N 2 1 329.488 2.441 20 10 EECDMP COc1c([O-])c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950205 464013310 /nfs/dbraw/zinc/01/33/10/464013310.db2.gz ZGLPGCXNFXVUFZ-OCCSQVGLSA-N 2 1 335.404 2.225 20 10 EECDMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000756548871 577846331 /nfs/dbraw/zinc/84/63/31/577846331.db2.gz LPBLJTISTMXOMV-VNHYZAJKSA-N 2 1 349.450 2.257 20 10 EECDMP C[C@H]1C[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000891248400 676242435 /nfs/dbraw/zinc/24/24/35/676242435.db2.gz LIZUOVSYNIXGFR-VDZJLULYSA-N 2 1 346.519 2.202 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)ncc3F)cc2)CC1 ZINC000895608080 684661617 /nfs/dbraw/zinc/66/16/17/684661617.db2.gz WVLNXLDEPUUKCI-UHFFFAOYSA-N 2 1 332.398 2.401 20 10 EECDMP COc1ccc(N2CCOC[C@]3(CCC[N@@H+](CCCC[NH3+])C3)C2)cc1 ZINC001235493626 1305252776 /nfs/dbraw/zinc/25/27/76/1305252776.db2.gz PNCPYPFKBFDNDZ-FQEVSTJZSA-N 2 1 347.503 2.353 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CCCO4)C3)c(F)c2)CC1 ZINC001236934020 1305736189 /nfs/dbraw/zinc/73/61/89/1305736189.db2.gz BKILNVAKQPHWNC-LJQANCHMSA-N 2 1 333.451 2.332 20 10 EECDMP COC(=O)CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)C1CC1 ZINC001236948851 1305742724 /nfs/dbraw/zinc/74/27/24/1305742724.db2.gz XRABGCNUTBIMRI-UHFFFAOYSA-N 2 1 349.450 2.105 20 10 EECDMP OC1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237391067 1305916478 /nfs/dbraw/zinc/91/64/78/1305916478.db2.gz JYFQSNBXYQLYII-FXAWDEMLSA-N 2 1 329.488 2.222 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCCOC(F)F)cc2F)CC1 ZINC001116938404 1305931573 /nfs/dbraw/zinc/93/15/73/1305931573.db2.gz NBFFGPYMBVOLPU-UHFFFAOYSA-N 2 1 331.382 2.296 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@]1(C)CO ZINC001118667687 1308918122 /nfs/dbraw/zinc/91/81/22/1308918122.db2.gz FFIVEMNYKYFHSU-HNAYVOBHSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@]1(C)CO ZINC001118667687 1308918125 /nfs/dbraw/zinc/91/81/25/1308918125.db2.gz FFIVEMNYKYFHSU-HNAYVOBHSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@]1(C)CO ZINC001118667687 1308918126 /nfs/dbraw/zinc/91/81/26/1308918126.db2.gz FFIVEMNYKYFHSU-HNAYVOBHSA-N 2 1 335.467 2.028 20 10 EECDMP CC[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](CC)[NH2+]1 ZINC001246172201 1310252193 /nfs/dbraw/zinc/25/21/93/1310252193.db2.gz GMQPFMLNFMDVEM-REPLKXPHSA-N 2 1 330.520 2.495 20 10 EECDMP CCCC[C@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177136 1310253706 /nfs/dbraw/zinc/25/37/06/1310253706.db2.gz ZGRDACIGISWNCP-OALUTQOASA-N 2 1 330.520 2.497 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCCC[N@H+]2C)cc1C ZINC001161042388 1320365652 /nfs/dbraw/zinc/36/56/52/1320365652.db2.gz PRNBBFXJULEKHQ-QGZVFWFLSA-N 2 1 333.476 2.084 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCO)C3)cc2)CC1 ZINC001140304059 1314861989 /nfs/dbraw/zinc/86/19/89/1314861989.db2.gz GSXNTTLAYIRDHR-GOSISDBHSA-N 2 1 331.504 2.423 20 10 EECDMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664594 1314925219 /nfs/dbraw/zinc/92/52/19/1314925219.db2.gz MXHRGBSTNGUDGY-LJQANCHMSA-N 2 1 333.451 2.190 20 10 EECDMP C[NH+]1CCN(c2ccc(CNc3nc(NC4CC4)cc[nH+]3)cc2)CC1 ZINC001156651056 1318137009 /nfs/dbraw/zinc/13/70/09/1318137009.db2.gz HKJJILMGNHSQKG-UHFFFAOYSA-N 2 1 338.459 2.415 20 10 EECDMP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001256020500 1318604034 /nfs/dbraw/zinc/60/40/34/1318604034.db2.gz AGQZQXSHFGPVIE-KRWDZBQOSA-N 2 1 347.459 2.177 20 10 EECDMP C[NH+](C)CCN1CC2(C1)CC[NH+](Cc1c(O)ccc(F)c1F)CC2 ZINC001276473440 1322177808 /nfs/dbraw/zinc/17/78/08/1322177808.db2.gz YCBSMVAACQXETO-UHFFFAOYSA-N 2 1 339.430 2.130 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cc2F)CC1 ZINC001319715274 1332749354 /nfs/dbraw/zinc/74/93/54/1332749354.db2.gz LKXFZKMVBUMYQR-QZTJIDSGSA-N 2 1 347.478 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cc2F)CC1 ZINC001319715274 1332749356 /nfs/dbraw/zinc/74/93/56/1332749356.db2.gz LKXFZKMVBUMYQR-QZTJIDSGSA-N 2 1 347.478 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H](O)C(C)(C)C3)cc2F)CC1 ZINC001320699241 1332937406 /nfs/dbraw/zinc/93/74/06/1332937406.db2.gz NNYVAUWYTYCAPK-SFHVURJKSA-N 2 1 335.467 2.170 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)C(C)(C)C3)cc2F)CC1 ZINC001320699241 1332937409 /nfs/dbraw/zinc/93/74/09/1332937409.db2.gz NNYVAUWYTYCAPK-SFHVURJKSA-N 2 1 335.467 2.170 20 10 EECDMP CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000817971791 785123032 /nfs/dbraw/zinc/12/30/32/785123032.db2.gz HIBBBIBFZBGOCZ-DZGCQCFKSA-N 2 1 349.372 2.408 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[S@@](=O)C(C)(C)CC3)cc2)CC1 ZINC000825025084 788402080 /nfs/dbraw/zinc/40/20/80/788402080.db2.gz YEAHAXKONVSDAY-XMMPIXPASA-N 2 1 349.544 2.171 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[S@@](=O)C(C)(C)CC3)cc2)CC1 ZINC000825025084 788402084 /nfs/dbraw/zinc/40/20/84/788402084.db2.gz YEAHAXKONVSDAY-XMMPIXPASA-N 2 1 349.544 2.171 20 10 EECDMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000785987180 806657494 /nfs/dbraw/zinc/65/74/94/806657494.db2.gz FHTZEQHQXGTYGE-HLIPFELVSA-N 2 1 331.504 2.420 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000093133279 237044134 /nfs/dbraw/zinc/04/41/34/237044134.db2.gz IFMQHGOSJLOGQM-KRWDZBQOSA-N 2 1 333.476 2.003 20 10 EECDMP CCC[N@H+](CC(=O)OCC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775664574 577442136 /nfs/dbraw/zinc/44/21/36/577442136.db2.gz YWKIHLATNJRFOD-UHFFFAOYSA-N 2 1 333.476 2.214 20 10 EECDMP CCC[N@@H+](CC(=O)OCC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775664574 577442137 /nfs/dbraw/zinc/44/21/37/577442137.db2.gz YWKIHLATNJRFOD-UHFFFAOYSA-N 2 1 333.476 2.214 20 10 EECDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1 ZINC001275821203 1205549869 /nfs/dbraw/zinc/54/98/69/1205549869.db2.gz JMJRNHTYXOZEOQ-UHFFFAOYSA-N 2 1 347.503 2.337 20 10 EECDMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3ccc(O)c(O)c3)CC2)C1 ZINC001275821203 1205549870 /nfs/dbraw/zinc/54/98/70/1205549870.db2.gz JMJRNHTYXOZEOQ-UHFFFAOYSA-N 2 1 347.503 2.337 20 10 EECDMP Cc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276169638 1205811554 /nfs/dbraw/zinc/81/15/54/1205811554.db2.gz UMOIFEVBWCSRTJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276169638 1205811555 /nfs/dbraw/zinc/81/15/55/1205811555.db2.gz UMOIFEVBWCSRTJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c(O)c1 ZINC001276169638 1205811557 /nfs/dbraw/zinc/81/15/57/1205811557.db2.gz UMOIFEVBWCSRTJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1ccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(O)c1 ZINC001276169638 1205811559 /nfs/dbraw/zinc/81/15/59/1205811559.db2.gz UMOIFEVBWCSRTJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1ccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c(O)c1 ZINC001276169638 1205811560 /nfs/dbraw/zinc/81/15/60/1205811560.db2.gz UMOIFEVBWCSRTJ-HDICACEKSA-N 2 1 331.504 2.406 20 10 EECDMP Cc1c(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c2ccccc2n1C ZINC001138259604 1314583196 /nfs/dbraw/zinc/58/31/96/1314583196.db2.gz KYBNVVRWTQFZLY-MRXNPFEDSA-N 2 1 342.487 2.129 20 10 EECDMP Cc1c(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c2ccccc2n1C ZINC001138259604 1314583197 /nfs/dbraw/zinc/58/31/97/1314583197.db2.gz KYBNVVRWTQFZLY-MRXNPFEDSA-N 2 1 342.487 2.129 20 10 EECDMP CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410729 1314740686 /nfs/dbraw/zinc/74/06/86/1314740686.db2.gz AWZIMDAIVZWFJI-FQEVSTJZSA-N 2 1 330.520 2.353 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)cc2)CC1 ZINC001139413788 1314741371 /nfs/dbraw/zinc/74/13/71/1314741371.db2.gz ZSXIRNHVZGBKLC-JVSBHGNQSA-N 2 1 327.472 2.048 20 10 EECDMP CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001318740677 1332585428 /nfs/dbraw/zinc/58/54/28/1332585428.db2.gz TZDDYRJJCGTZKG-DNVCBOLYSA-N 2 1 337.483 2.464 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+](CCCCO)C3CC3)cc2F)CC1 ZINC001323311433 1333437526 /nfs/dbraw/zinc/43/75/26/1333437526.db2.gz QWYRDVKKSVDICO-UHFFFAOYSA-N 2 1 335.467 2.314 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCCCO)C3CC3)cc2F)CC1 ZINC001323311433 1333437530 /nfs/dbraw/zinc/43/75/30/1333437530.db2.gz QWYRDVKKSVDICO-UHFFFAOYSA-N 2 1 335.467 2.314 20 10 EECDMP CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326187487 1334039352 /nfs/dbraw/zinc/03/93/52/1334039352.db2.gz GWFDNXKFSBYCMT-RDJZCZTQSA-N 2 1 337.483 2.464 20 10 EECDMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001326236467 1334049244 /nfs/dbraw/zinc/04/92/44/1334049244.db2.gz JMBMFKRGZODLFH-IBGZPJMESA-N 2 1 344.503 2.106 20 10 EECDMP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001326992023 1334198612 /nfs/dbraw/zinc/19/86/12/1334198612.db2.gz WTMYXKWNKWUFDK-HNNXBMFYSA-N 3 1 334.483 2.137 20 10 EECDMP CO[C@@](C)(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001343636791 1337342199 /nfs/dbraw/zinc/34/21/99/1337342199.db2.gz YGIQDWJEHXWVLF-IBGZPJMESA-N 2 1 335.467 2.482 20 10 EECDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000832281028 1372423494 /nfs/dbraw/zinc/42/34/94/1372423494.db2.gz QZWIKDQRNPDJKO-RBUKOAKNSA-N 2 1 340.471 2.172 20 10 EECDMP COc1c(O)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000290643717 464126811 /nfs/dbraw/zinc/12/68/11/464126811.db2.gz YQELMJFBARWVCT-CQSZACIVSA-N 2 1 349.431 2.473 20 10 EECDMP COc1c(O)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000290643717 464126818 /nfs/dbraw/zinc/12/68/18/464126818.db2.gz YQELMJFBARWVCT-CQSZACIVSA-N 2 1 349.431 2.473 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378374175 467284434 /nfs/dbraw/zinc/28/44/34/467284434.db2.gz VLDQDXWORPJESU-SZVBFZGTSA-N 2 1 334.460 2.474 20 10 EECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726596 577443969 /nfs/dbraw/zinc/44/39/69/577443969.db2.gz USROIWYMYLCDCN-IBGZPJMESA-N 3 1 330.520 2.212 20 10 EECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726596 577443970 /nfs/dbraw/zinc/44/39/70/577443970.db2.gz USROIWYMYLCDCN-IBGZPJMESA-N 3 1 330.520 2.212 20 10 EECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726596 577443971 /nfs/dbraw/zinc/44/39/71/577443971.db2.gz USROIWYMYLCDCN-IBGZPJMESA-N 3 1 330.520 2.212 20 10 EECDMP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726596 577443972 /nfs/dbraw/zinc/44/39/72/577443972.db2.gz USROIWYMYLCDCN-IBGZPJMESA-N 2 1 330.520 2.212 20 10 EECDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775726596 577443973 /nfs/dbraw/zinc/44/39/73/577443973.db2.gz USROIWYMYLCDCN-IBGZPJMESA-N 2 1 330.520 2.212 20 10 EECDMP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)[C@@H](O)CO2 ZINC000768448899 577556005 /nfs/dbraw/zinc/55/60/05/577556005.db2.gz YCYONKDUMLKYBL-QAPCUYQASA-N 2 1 332.444 2.268 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)[C@@H](O)CO2 ZINC000768448899 577556006 /nfs/dbraw/zinc/55/60/06/577556006.db2.gz YCYONKDUMLKYBL-QAPCUYQASA-N 2 1 332.444 2.268 20 10 EECDMP C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001275959500 1205603341 /nfs/dbraw/zinc/60/33/41/1205603341.db2.gz CGPDMZDQKKEPOO-OYRHEFFESA-N 2 1 342.531 2.497 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC[C@@H]1C1CC[NH2+]CC1 ZINC001235152525 1305129350 /nfs/dbraw/zinc/12/93/50/1305129350.db2.gz GIGKZIVIKWILMM-OAQYLSRUSA-N 3 1 342.531 2.450 20 10 EECDMP CN(C)c1cc(F)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000858161526 1294027959 /nfs/dbraw/zinc/02/79/59/1294027959.db2.gz AHTAEZBSDDXEBX-UHFFFAOYSA-N 2 1 340.462 2.146 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCC[C@@]12CCC[NH2+]CC2 ZINC001222314855 1299473431 /nfs/dbraw/zinc/47/34/31/1299473431.db2.gz JMROZPRTUDRZLD-HXUWFJFHSA-N 3 1 328.504 2.204 20 10 EECDMP COc1cc(C)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(O)c1 ZINC001236808759 1305686039 /nfs/dbraw/zinc/68/60/39/1305686039.db2.gz BNMUTIZNPAMSDX-UHFFFAOYSA-N 2 1 333.432 2.339 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@H]4C3)c(F)c2)CC1 ZINC001236933943 1305736101 /nfs/dbraw/zinc/73/61/01/1305736101.db2.gz AWJLKZYBDLXZJG-IBGZPJMESA-N 2 1 346.494 2.248 20 10 EECDMP Cn1ccc2c1nc[nH+]c2NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001156655740 1318142381 /nfs/dbraw/zinc/14/23/81/1318142381.db2.gz IHFDETLDQRYIFW-UHFFFAOYSA-N 2 1 336.443 2.332 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@](F)(C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205558801 1323194390 /nfs/dbraw/zinc/19/43/90/1323194390.db2.gz IRORRRMJUCZQOU-GOSISDBHSA-N 3 1 339.455 2.115 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(OC)c1 ZINC001205672260 1323238654 /nfs/dbraw/zinc/23/86/54/1323238654.db2.gz HHUSHHZJIISAKF-LJQANCHMSA-N 2 1 335.492 2.217 20 10 EECDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1F ZINC001206185644 1323418227 /nfs/dbraw/zinc/41/82/27/1323418227.db2.gz OOEGJYIJNLFZSR-JKSUJKDBSA-N 2 1 341.858 2.438 20 10 EECDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@@H]1F ZINC001206185644 1323418229 /nfs/dbraw/zinc/41/82/29/1323418229.db2.gz OOEGJYIJNLFZSR-JKSUJKDBSA-N 2 1 341.858 2.438 20 10 EECDMP COc1cc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206547023 1323528655 /nfs/dbraw/zinc/52/86/55/1323528655.db2.gz AQTPSYYIXNALJM-IBGZPJMESA-N 3 1 335.492 2.413 20 10 EECDMP COc1cc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206547023 1323528660 /nfs/dbraw/zinc/52/86/60/1323528660.db2.gz AQTPSYYIXNALJM-IBGZPJMESA-N 3 1 335.492 2.413 20 10 EECDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001323828986 1333549055 /nfs/dbraw/zinc/54/90/55/1333549055.db2.gz FQODCFHNRDLMNJ-PMPSAXMXSA-N 2 1 345.487 2.426 20 10 EECDMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326221830 1334046068 /nfs/dbraw/zinc/04/60/68/1334046068.db2.gz KENPOFIMTAFQQV-RDJZCZTQSA-N 2 1 334.483 2.137 20 10 EECDMP CO[C@@H]([C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CC1 ZINC001327952403 1334369465 /nfs/dbraw/zinc/36/94/65/1334369465.db2.gz RCQXKMKMKJSYIY-LIRRHRJNSA-N 2 1 335.467 2.481 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@H]1C[NH3+] ZINC000817865982 785032224 /nfs/dbraw/zinc/03/22/24/785032224.db2.gz QUYLOJGHKHNWOV-BFYDXBDKSA-N 2 1 335.467 2.468 20 10 EECDMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225007 788915472 /nfs/dbraw/zinc/91/54/72/788915472.db2.gz SYYJRXABWBGQBN-SOLBZPMBSA-N 2 1 346.519 2.016 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@H]1C[NH3+] ZINC000844225007 788915478 /nfs/dbraw/zinc/91/54/78/788915478.db2.gz SYYJRXABWBGQBN-SOLBZPMBSA-N 2 1 346.519 2.016 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000370698981 466970050 /nfs/dbraw/zinc/97/00/50/466970050.db2.gz KJTHNUBUADOSHB-VQIMIIECSA-N 2 1 347.503 2.249 20 10 EECDMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1N1CCOCC1 ZINC000727466661 576428683 /nfs/dbraw/zinc/42/86/83/576428683.db2.gz AONAVJFRLPAKLU-IRXDYDNUSA-N 2 1 333.451 2.379 20 10 EECDMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1N1CCOCC1 ZINC000727466661 576428687 /nfs/dbraw/zinc/42/86/87/576428687.db2.gz AONAVJFRLPAKLU-IRXDYDNUSA-N 2 1 333.451 2.379 20 10 EECDMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000727466659 576428727 /nfs/dbraw/zinc/42/87/27/576428727.db2.gz AONAVJFRLPAKLU-DLBZAZTESA-N 2 1 333.451 2.379 20 10 EECDMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1N1CCOCC1 ZINC000727466659 576428729 /nfs/dbraw/zinc/42/87/29/576428729.db2.gz AONAVJFRLPAKLU-DLBZAZTESA-N 2 1 333.451 2.379 20 10 EECDMP CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775661163 577442054 /nfs/dbraw/zinc/44/20/54/577442054.db2.gz MORLEVBXJFVWRH-UHFFFAOYSA-N 2 1 327.476 2.194 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)[C@H](O)CO2 ZINC000768462929 577556282 /nfs/dbraw/zinc/55/62/82/577556282.db2.gz OXCJZSXEOMLWJD-BOFPYLFWSA-N 2 1 344.455 2.267 20 10 EECDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)[C@H](O)CO2 ZINC000768462929 577556283 /nfs/dbraw/zinc/55/62/83/577556283.db2.gz OXCJZSXEOMLWJD-BOFPYLFWSA-N 2 1 344.455 2.267 20 10 EECDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)[C@H](O)CO2 ZINC000768462929 577556284 /nfs/dbraw/zinc/55/62/84/577556284.db2.gz OXCJZSXEOMLWJD-BOFPYLFWSA-N 2 1 344.455 2.267 20 10 EECDMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000756548841 577846404 /nfs/dbraw/zinc/84/64/04/577846404.db2.gz LPBLJTISTMXOMV-IPYPFGDCSA-N 2 1 349.450 2.257 20 10 EECDMP CN(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000702555111 1196010287 /nfs/dbraw/zinc/01/02/87/1196010287.db2.gz ZKKGNYCQVUFKIA-OAQYLSRUSA-N 2 1 339.483 2.479 20 10 EECDMP CN(C)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000702555111 1196010289 /nfs/dbraw/zinc/01/02/89/1196010289.db2.gz ZKKGNYCQVUFKIA-OAQYLSRUSA-N 2 1 339.483 2.479 20 10 EECDMP Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702602135 1196043355 /nfs/dbraw/zinc/04/33/55/1196043355.db2.gz GROZLJOMDSFBNY-FQEVSTJZSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702602135 1196043359 /nfs/dbraw/zinc/04/33/59/1196043359.db2.gz GROZLJOMDSFBNY-FQEVSTJZSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1cc(O)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000825915901 1199799037 /nfs/dbraw/zinc/79/90/37/1199799037.db2.gz DBUDERQLBVUNFF-UHFFFAOYSA-N 2 1 325.884 2.423 20 10 EECDMP Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC000811517994 1200103459 /nfs/dbraw/zinc/10/34/59/1200103459.db2.gz GMPPPGBHYXIRFZ-HXUWFJFHSA-N 2 1 339.487 2.390 20 10 EECDMP C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000883289652 1202041284 /nfs/dbraw/zinc/04/12/84/1202041284.db2.gz WFKPRJBGBWLQMJ-KRWDZBQOSA-N 2 1 330.520 2.258 20 10 EECDMP Oc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4cn[nH]c4)CC[C@@H]3C2)c(O)c1 ZINC001275952907 1205601454 /nfs/dbraw/zinc/60/14/54/1205601454.db2.gz ONPKZFPQTMWIBO-IYBDPMFKSA-N 2 1 342.443 2.165 20 10 EECDMP Oc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(O)c1 ZINC001275952907 1205601455 /nfs/dbraw/zinc/60/14/55/1205601455.db2.gz ONPKZFPQTMWIBO-IYBDPMFKSA-N 2 1 342.443 2.165 20 10 EECDMP Oc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4cn[nH]c4)CC[C@@H]3C2)c(O)c1 ZINC001275952907 1205601456 /nfs/dbraw/zinc/60/14/56/1205601456.db2.gz ONPKZFPQTMWIBO-IYBDPMFKSA-N 2 1 342.443 2.165 20 10 EECDMP Cc1cccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(CC[NH+](C)C)C3)c1O ZINC001273770104 1285290482 /nfs/dbraw/zinc/29/04/82/1285290482.db2.gz OBPVBDHCHUIQFP-FQEVSTJZSA-N 2 1 345.487 2.219 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233485678 1304478830 /nfs/dbraw/zinc/47/88/30/1304478830.db2.gz GPACCAOHXFFAIL-IRXDYDNUSA-N 2 1 340.423 2.367 20 10 EECDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)CN(C)C)C2)c(O)c1 ZINC001237054709 1305781239 /nfs/dbraw/zinc/78/12/39/1305781239.db2.gz DVYIELWFNDXOHJ-QGZVFWFLSA-N 2 1 333.476 2.158 20 10 EECDMP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001237054709 1305781246 /nfs/dbraw/zinc/78/12/46/1305781246.db2.gz DVYIELWFNDXOHJ-QGZVFWFLSA-N 2 1 333.476 2.158 20 10 EECDMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)c(O)c1 ZINC001237054709 1305781254 /nfs/dbraw/zinc/78/12/54/1305781254.db2.gz DVYIELWFNDXOHJ-QGZVFWFLSA-N 2 1 333.476 2.158 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(O)[C@@H](C)C3)cc2)CC1 ZINC001140302506 1314861054 /nfs/dbraw/zinc/86/10/54/1314861054.db2.gz SOXIDFLKWNEFOH-PXNSSMCTSA-N 2 1 331.504 2.421 20 10 EECDMP CN1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2F)CC1 ZINC001251727246 1317494299 /nfs/dbraw/zinc/49/42/99/1317494299.db2.gz QEKVVQDOSPNONO-QZTJIDSGSA-N 3 1 346.494 2.294 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205618024 1323217928 /nfs/dbraw/zinc/21/79/28/1323217928.db2.gz QRKUNJHHEYKLCO-MJGOQNOKSA-N 3 1 330.520 2.245 20 10 EECDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205618024 1323217931 /nfs/dbraw/zinc/21/79/31/1323217931.db2.gz QRKUNJHHEYKLCO-MJGOQNOKSA-N 2 1 330.520 2.245 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205618024 1323217942 /nfs/dbraw/zinc/21/79/42/1323217942.db2.gz QRKUNJHHEYKLCO-MJGOQNOKSA-N 2 1 330.520 2.245 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001206310741 1323452522 /nfs/dbraw/zinc/45/25/22/1323452522.db2.gz BIDAZDGETZOQFN-LJQANCHMSA-N 3 1 335.492 2.413 20 10 EECDMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676239 1334141414 /nfs/dbraw/zinc/14/14/14/1334141414.db2.gz PYGJJRWESMRIGL-ZWKOTPCHSA-N 2 1 332.492 2.133 20 10 EECDMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676237 1334141469 /nfs/dbraw/zinc/14/14/69/1334141469.db2.gz PYGJJRWESMRIGL-ROUUACIJSA-N 2 1 332.492 2.133 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2F)CC1 ZINC000848718834 1373170800 /nfs/dbraw/zinc/17/08/00/1373170800.db2.gz RBEOOYNPSZIWMB-DLBZAZTESA-N 2 1 334.483 2.327 20 10 EECDMP Cc1cc(N2CC=C(CCNC(=O)C[N@@H+](C)C(C)C)CC2)nc(C)[nH+]1 ZINC001089835662 777463717 /nfs/dbraw/zinc/46/37/17/777463717.db2.gz KDBKSXHWIVKXAT-UHFFFAOYSA-N 2 1 345.491 2.076 20 10 EECDMP Cc1cc(N2CC=C(CCNC(=O)C[N@H+](C)C(C)C)CC2)nc(C)[nH+]1 ZINC001089835662 777463720 /nfs/dbraw/zinc/46/37/20/777463720.db2.gz KDBKSXHWIVKXAT-UHFFFAOYSA-N 2 1 345.491 2.076 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)cc1C ZINC001082449728 797535209 /nfs/dbraw/zinc/53/52/09/797535209.db2.gz GYYWXDDUQLCBBG-NXHRZFHOSA-N 2 1 345.487 2.034 20 10 EECDMP COc1c([O-])c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000290490514 464120273 /nfs/dbraw/zinc/12/02/73/464120273.db2.gz ONMHBTICUBCLHW-OCCSQVGLSA-N 2 1 335.404 2.225 20 10 EECDMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000756550845 577846498 /nfs/dbraw/zinc/84/64/98/577846498.db2.gz SUNZXNTUCQHUIS-QWHCGFSZSA-N 2 1 339.867 2.284 20 10 EECDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255987 676252079 /nfs/dbraw/zinc/25/20/79/676252079.db2.gz UPZKILPYJMPZHP-OALUTQOASA-N 2 1 346.519 2.346 20 10 EECDMP CN(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(NCC[NH+](C)C)C3)cc1 ZINC001275833249 1205556002 /nfs/dbraw/zinc/55/60/02/1205556002.db2.gz DVYWYBDTNFNBRA-CTXDPNEZSA-N 2 1 330.520 2.399 20 10 EECDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)cc1 ZINC001275833249 1205556004 /nfs/dbraw/zinc/55/60/04/1205556004.db2.gz DVYWYBDTNFNBRA-CTXDPNEZSA-N 2 1 330.520 2.399 20 10 EECDMP CN(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275833249 1205556006 /nfs/dbraw/zinc/55/60/06/1205556006.db2.gz DVYWYBDTNFNBRA-CTXDPNEZSA-N 2 1 330.520 2.399 20 10 EECDMP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nn1 ZINC000926852824 1296940532 /nfs/dbraw/zinc/94/05/32/1296940532.db2.gz BIJSMBFOKCGTTK-MRXNPFEDSA-N 2 1 342.491 2.462 20 10 EECDMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000840761050 1315408875 /nfs/dbraw/zinc/40/88/75/1315408875.db2.gz ONLHRSBIFWJRGR-ZFWWWQNUSA-N 2 1 339.430 2.374 20 10 EECDMP C[C@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000840761050 1315408876 /nfs/dbraw/zinc/40/88/76/1315408876.db2.gz ONLHRSBIFWJRGR-ZFWWWQNUSA-N 2 1 339.430 2.374 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)c(O)c1 ZINC001249171471 1317016920 /nfs/dbraw/zinc/01/69/20/1317016920.db2.gz BZIBEFQGANPJJQ-UHFFFAOYSA-N 2 1 332.444 2.168 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)cc1Br ZINC001205247162 1322329768 /nfs/dbraw/zinc/32/97/68/1322329768.db2.gz CBQNIIOOBSDRRW-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002743 1323366845 /nfs/dbraw/zinc/36/68/45/1323366845.db2.gz AFENOFIRACKVKX-MJGOQNOKSA-N 3 1 330.520 2.245 20 10 EECDMP C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002743 1323366852 /nfs/dbraw/zinc/36/68/52/1323366852.db2.gz AFENOFIRACKVKX-MJGOQNOKSA-N 2 1 330.520 2.245 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CCC[C@H]1C[NH3+] ZINC001206002743 1323366856 /nfs/dbraw/zinc/36/68/56/1323366856.db2.gz AFENOFIRACKVKX-MJGOQNOKSA-N 2 1 330.520 2.245 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(C)CC[NH2+]CC3)cc2F)CC1 ZINC001328681526 1334497495 /nfs/dbraw/zinc/49/74/95/1334497495.db2.gz MTBNJSAPTLLXQV-UHFFFAOYSA-N 3 1 334.483 2.057 20 10 EECDMP [NH3+][C@@H](C[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)CC(F)(F)F ZINC001580131434 1403832864 /nfs/dbraw/zinc/83/28/64/1403832864.db2.gz DQKYXOKIMQZREH-OAHLLOKOSA-N 2 1 345.409 2.265 20 10 EECDMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC000998549083 792979758 /nfs/dbraw/zinc/97/97/58/792979758.db2.gz KCLLCXQQEADDAW-DAWZGUTISA-N 2 1 345.487 2.177 20 10 EECDMP Cc1cc(C[N@H+]2CCC[C@](O)(C[NH3+])CC2)c(O)cc1Br ZINC001205255552 801478901 /nfs/dbraw/zinc/47/89/01/801478901.db2.gz JZSCCWXHAAYBOS-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000378374176 467284084 /nfs/dbraw/zinc/28/40/84/467284084.db2.gz VLDQDXWORPJESU-VDZJLULYSA-N 2 1 334.460 2.474 20 10 EECDMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2c1c(F)ccc2O ZINC000756548868 577846360 /nfs/dbraw/zinc/84/63/60/577846360.db2.gz LPBLJTISTMXOMV-UMVBOHGHSA-N 2 1 349.450 2.257 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)cc1C ZINC000969947288 675332789 /nfs/dbraw/zinc/33/27/89/675332789.db2.gz CTYAPOUGKIZNFP-SJLPKXTDSA-N 2 1 345.487 2.178 20 10 EECDMP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC001482914053 1187839805 /nfs/dbraw/zinc/83/98/05/1187839805.db2.gz HFCVBMCUOGSSDE-QGZVFWFLSA-N 2 1 333.476 2.036 20 10 EECDMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877585793 1199973250 /nfs/dbraw/zinc/97/32/50/1199973250.db2.gz WYXAOKAXXQXTPA-SFHVURJKSA-N 2 1 331.504 2.469 20 10 EECDMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001100905127 1259418289 /nfs/dbraw/zinc/41/82/89/1259418289.db2.gz XLCZMJWIWBNLDI-UHFFFAOYSA-N 2 1 347.503 2.330 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCN[C@H](c3ccccc3)C1)C[NH2+]CCO2 ZINC001235857528 1305426648 /nfs/dbraw/zinc/42/66/48/1305426648.db2.gz VETVELYPHZLXNT-SFHVURJKSA-N 2 1 339.439 2.021 20 10 EECDMP Oc1cc2c(cc1CN1CC[NH2+][C@H](c3ccccc3)C1)C[NH2+]CCO2 ZINC001235857528 1305426657 /nfs/dbraw/zinc/42/66/57/1305426657.db2.gz VETVELYPHZLXNT-SFHVURJKSA-N 2 1 339.439 2.021 20 10 EECDMP CN(C)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c2ccccc21 ZINC001236083431 1305497312 /nfs/dbraw/zinc/49/73/12/1305497312.db2.gz UPYDKYYBEANDSH-UHFFFAOYSA-N 2 1 326.488 2.243 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)cc2)CC1 ZINC001140306217 1314863230 /nfs/dbraw/zinc/86/32/30/1314863230.db2.gz PRPDGUAHWOYJBA-UJOPUZHASA-N 2 1 341.499 2.438 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)cc2)CC1 ZINC001140306204 1314863278 /nfs/dbraw/zinc/86/32/78/1314863278.db2.gz OZZQBCGNXVZCBL-NSISKUIASA-N 2 1 329.488 2.295 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCCOC1 ZINC001319715771 1332749325 /nfs/dbraw/zinc/74/93/25/1332749325.db2.gz LGXVTMYOYQRUNL-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCCOC1 ZINC001319715771 1332749328 /nfs/dbraw/zinc/74/93/28/1332749328.db2.gz LGXVTMYOYQRUNL-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CO)CCCC3)cc2F)CC1 ZINC001331300959 1334993569 /nfs/dbraw/zinc/99/35/69/1334993569.db2.gz AKSBDMVRBVMCKQ-UHFFFAOYSA-N 2 1 335.467 2.220 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2F)CC1 ZINC000817902482 785054956 /nfs/dbraw/zinc/05/49/56/785054956.db2.gz REYUAMVDEVZQPD-SJLPKXTDSA-N 2 1 334.483 2.185 20 10 EECDMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000846226163 790094385 /nfs/dbraw/zinc/09/43/85/790094385.db2.gz JAWSYBLQIQSJFN-VQIMIIECSA-N 2 1 346.519 2.160 20 10 EECDMP COc1c([O-])c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950208 464012432 /nfs/dbraw/zinc/01/24/32/464012432.db2.gz ZGLPGCXNFXVUFZ-TZMCWYRMSA-N 2 1 335.404 2.225 20 10 EECDMP COc1c([O-])c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490520 464120638 /nfs/dbraw/zinc/12/06/38/464120638.db2.gz ONMHBTICUBCLHW-TZMCWYRMSA-N 2 1 335.404 2.225 20 10 EECDMP C[N@@H+](Cc1ccccc1O)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190310808 464620456 /nfs/dbraw/zinc/62/04/56/464620456.db2.gz ZMBCOZKDQGXVBH-FQEVSTJZSA-N 2 1 326.440 2.461 20 10 EECDMP C[NH+](Cc1ccccc1O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190310808 464620480 /nfs/dbraw/zinc/62/04/80/464620480.db2.gz ZMBCOZKDQGXVBH-FQEVSTJZSA-N 2 1 326.440 2.461 20 10 EECDMP C[NH+](Cc1ccccc1O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190310808 464620487 /nfs/dbraw/zinc/62/04/87/464620487.db2.gz ZMBCOZKDQGXVBH-FQEVSTJZSA-N 2 1 326.440 2.461 20 10 EECDMP CCOc1ccc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000378374174 467283543 /nfs/dbraw/zinc/28/35/43/467283543.db2.gz VLDQDXWORPJESU-KVSKMBFKSA-N 2 1 334.460 2.474 20 10 EECDMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1O ZINC000775503760 577438645 /nfs/dbraw/zinc/43/86/45/577438645.db2.gz NPAITWSBUSFVEG-KRWDZBQOSA-N 2 1 333.476 2.376 20 10 EECDMP COC(=O)CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC(C)C ZINC000775655172 577441914 /nfs/dbraw/zinc/44/19/14/577441914.db2.gz WPCFCBXJBKSXHR-UHFFFAOYSA-N 2 1 347.503 2.460 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)[C@@H](O)CO2 ZINC000768462934 577556359 /nfs/dbraw/zinc/55/63/59/577556359.db2.gz OXCJZSXEOMLWJD-XVSDVWIESA-N 2 1 344.455 2.267 20 10 EECDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)[C@@H](O)CO2 ZINC000768462934 577556360 /nfs/dbraw/zinc/55/63/60/577556360.db2.gz OXCJZSXEOMLWJD-XVSDVWIESA-N 2 1 344.455 2.267 20 10 EECDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)[C@@H](O)CO2 ZINC000768462934 577556361 /nfs/dbraw/zinc/55/63/61/577556361.db2.gz OXCJZSXEOMLWJD-XVSDVWIESA-N 2 1 344.455 2.267 20 10 EECDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)[C@@H](O)CO2 ZINC000768466127 577556497 /nfs/dbraw/zinc/55/64/97/577556497.db2.gz MPLOORZIJUGFMG-KDOFPFPSSA-N 2 1 332.444 2.126 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)[C@@H](O)CO2 ZINC000768466127 577556498 /nfs/dbraw/zinc/55/64/98/577556498.db2.gz MPLOORZIJUGFMG-KDOFPFPSSA-N 2 1 332.444 2.126 20 10 EECDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001128783487 1195538373 /nfs/dbraw/zinc/53/83/73/1195538373.db2.gz HZDHOIVDBCYSFJ-KRWDZBQOSA-N 2 1 333.476 2.084 20 10 EECDMP CN(C)c1ccc([C@@H]([NH3+])CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873210642 1198531981 /nfs/dbraw/zinc/53/19/81/1198531981.db2.gz MUCMRYDPZNZOFA-KRWDZBQOSA-N 2 1 330.501 2.249 20 10 EECDMP CN(Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253632 1214414242 /nfs/dbraw/zinc/41/42/42/1214414242.db2.gz YHDGPDLBSLWFRA-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP C[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253632 1214414250 /nfs/dbraw/zinc/41/42/50/1214414250.db2.gz YHDGPDLBSLWFRA-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000092253632 1214414251 /nfs/dbraw/zinc/41/42/51/1214414251.db2.gz YHDGPDLBSLWFRA-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP C[NH+](Cc1ccc(N2CCOCC2)c(F)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253632 1214414257 /nfs/dbraw/zinc/41/42/57/1214414257.db2.gz YHDGPDLBSLWFRA-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC001222149344 1299388869 /nfs/dbraw/zinc/38/88/69/1299388869.db2.gz XUGKLPZAJPUPAD-OAQYLSRUSA-N 3 1 342.531 2.404 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC001222149344 1299388882 /nfs/dbraw/zinc/38/88/82/1299388882.db2.gz XUGKLPZAJPUPAD-OAQYLSRUSA-N 2 1 342.531 2.404 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](N3CC([NH3+])C3)C2)c(OC)c1 ZINC001236074496 1305492413 /nfs/dbraw/zinc/49/24/13/1305492413.db2.gz YZORSJYFYDKBSO-LJQANCHMSA-N 2 1 346.519 2.149 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@@H+](C1CCC1)C1CC[NH2+]CC1 ZINC001236633465 1305619436 /nfs/dbraw/zinc/61/94/36/1305619436.db2.gz JJIXIVVEIHVFNG-UHFFFAOYSA-N 3 1 328.504 2.203 20 10 EECDMP COc1cc(C[N@H+]2CCCC[C@@](O)(CF)C2)cc(C[NH+](C)C)c1O ZINC001139253482 1314721649 /nfs/dbraw/zinc/72/16/49/1314721649.db2.gz VSGCVAWWIXBAEU-GOSISDBHSA-N 2 1 340.439 2.149 20 10 EECDMP COc1cc(CN2CC[N@H+]3CCCC[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139256758 1314722229 /nfs/dbraw/zinc/72/22/29/1314722229.db2.gz JQMURZGBUDRVPN-KRWDZBQOSA-N 2 1 333.476 2.133 20 10 EECDMP CC[N@H+]1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)C(C)(C)C1 ZINC001139259687 1314722549 /nfs/dbraw/zinc/72/25/49/1314722549.db2.gz APAQUQCYLAEEBV-UHFFFAOYSA-N 2 1 335.492 2.379 20 10 EECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141077830 1315037516 /nfs/dbraw/zinc/03/75/16/1315037516.db2.gz BIVUVSLRMLUWDH-UHFFFAOYSA-N 2 1 342.531 2.065 20 10 EECDMP Fc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843125225 1315849410 /nfs/dbraw/zinc/84/94/10/1315849410.db2.gz OLOKCSYHOUJGNZ-MSOLQXFVSA-N 2 1 347.478 2.484 20 10 EECDMP C[C@H]1C[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001254051868 1317992863 /nfs/dbraw/zinc/99/28/63/1317992863.db2.gz GCOGVRWUAGYXBA-DOTOQJQBSA-N 2 1 335.467 2.482 20 10 EECDMP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001204322669 1322112296 /nfs/dbraw/zinc/11/22/96/1322112296.db2.gz MCZZFFBWICTJJW-LEWJYISDSA-N 2 1 342.531 2.497 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@H]1C[NH3+] ZINC001205627413 1323221088 /nfs/dbraw/zinc/22/10/88/1323221088.db2.gz PKGGOISRAFHVLX-CVEARBPZSA-N 2 1 335.467 2.469 20 10 EECDMP C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337026158 1336632749 /nfs/dbraw/zinc/63/27/49/1336632749.db2.gz NWRCYMPLLRZSIO-KRWDZBQOSA-N 2 1 334.483 2.104 20 10 EECDMP c1csc(SCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000848527405 1373156345 /nfs/dbraw/zinc/15/63/45/1373156345.db2.gz AYXPSLVWDRHGRZ-AWEZNQCLSA-N 2 1 327.519 2.468 20 10 EECDMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1C ZINC000997299602 789592752 /nfs/dbraw/zinc/59/27/52/789592752.db2.gz PXTNYQBMHSPXCV-QGZVFWFLSA-N 2 1 345.487 2.036 20 10 EECDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771832668 577233337 /nfs/dbraw/zinc/23/33/37/577233337.db2.gz NPEDDHMRRYQLLE-KRWDZBQOSA-N 3 1 341.503 2.369 20 10 EECDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001128783489 1195538079 /nfs/dbraw/zinc/53/80/79/1195538079.db2.gz HZDHOIVDBCYSFJ-QGZVFWFLSA-N 2 1 333.476 2.084 20 10 EECDMP Cc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000702602301 1196044787 /nfs/dbraw/zinc/04/47/87/1196044787.db2.gz GROZLJOMDSFBNY-HXUWFJFHSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1ccc(O)c(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000702602301 1196044792 /nfs/dbraw/zinc/04/47/92/1196044792.db2.gz GROZLJOMDSFBNY-HXUWFJFHSA-N 2 1 326.440 2.427 20 10 EECDMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000794806297 1198049534 /nfs/dbraw/zinc/04/95/34/1198049534.db2.gz HCDOEKCECKOWNW-NVXWUHKLSA-N 2 1 333.476 2.329 20 10 EECDMP Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104841 1299355582 /nfs/dbraw/zinc/35/55/82/1299355582.db2.gz NKEPLCZWJFQMNX-UHFFFAOYSA-N 2 1 330.259 2.226 20 10 EECDMP Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222104841 1299355595 /nfs/dbraw/zinc/35/55/95/1299355595.db2.gz NKEPLCZWJFQMNX-UHFFFAOYSA-N 2 1 330.259 2.226 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C[NH2+]CCO2 ZINC001235159946 1305131546 /nfs/dbraw/zinc/13/15/46/1305131546.db2.gz ZDSPAWKZFIPOKR-SFHVURJKSA-N 3 1 345.487 2.228 20 10 EECDMP [O-]c1cc2c(cc1C[N@@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C[NH2+]CCO2 ZINC001235159946 1305131555 /nfs/dbraw/zinc/13/15/55/1305131555.db2.gz ZDSPAWKZFIPOKR-SFHVURJKSA-N 2 1 345.487 2.228 20 10 EECDMP [O-]c1cc2c(cc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1)C[NH2+]CCO2 ZINC001235159946 1305131560 /nfs/dbraw/zinc/13/15/60/1305131560.db2.gz ZDSPAWKZFIPOKR-SFHVURJKSA-N 2 1 345.487 2.228 20 10 EECDMP COC(=O)CC[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CCCC1 ZINC001235689124 1305332173 /nfs/dbraw/zinc/33/21/73/1305332173.db2.gz AJCDLMKLGJVITP-UHFFFAOYSA-N 2 1 345.487 2.404 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@H]1O ZINC001236931464 1305733289 /nfs/dbraw/zinc/73/32/89/1305733289.db2.gz KRWVMQWWWLQOJY-BEFAXECRSA-N 2 1 335.467 2.170 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)cc(C[NH+](C)C)c1O ZINC001139258961 1314722606 /nfs/dbraw/zinc/72/26/06/1314722606.db2.gz CEYMAPWVZOARLI-IBGZPJMESA-N 2 1 348.443 2.134 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4CCCO[C@H]4C3)cc2)CC1 ZINC001139408996 1314740697 /nfs/dbraw/zinc/74/06/97/1314740697.db2.gz RRAMHMRUYQIADJ-QUCCMNQESA-N 2 1 329.488 2.439 20 10 EECDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC001139411368 1314741005 /nfs/dbraw/zinc/74/10/05/1314741005.db2.gz IENVKBPXLKDYFT-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP CCN1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC001139411368 1314741007 /nfs/dbraw/zinc/74/10/07/1314741007.db2.gz IENVKBPXLKDYFT-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP CCN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C(C)(C)C1 ZINC001139411368 1314741009 /nfs/dbraw/zinc/74/10/09/1314741009.db2.gz IENVKBPXLKDYFT-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP Cc1cc(N(C)C)ccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000840916776 1315435361 /nfs/dbraw/zinc/43/53/61/1315435361.db2.gz DMIVSXVPQRBFRB-FQEVSTJZSA-N 2 1 330.520 2.273 20 10 EECDMP [NH3+][C@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@H]1F ZINC001206164973 1323410692 /nfs/dbraw/zinc/41/06/92/1323410692.db2.gz LSOZAYPLEQWXSD-SJORKVTESA-N 2 1 333.451 2.352 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)c3ccco3)cc2F)CC1 ZINC001323189284 1333407178 /nfs/dbraw/zinc/40/71/78/1333407178.db2.gz HPAZQLPKSRZNSM-LJQANCHMSA-N 2 1 347.434 2.168 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834170 1337582358 /nfs/dbraw/zinc/58/23/58/1337582358.db2.gz KQNQZLURFBYSSZ-NUJGCVRESA-N 2 1 348.510 2.383 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834170 1337582360 /nfs/dbraw/zinc/58/23/60/1337582360.db2.gz KQNQZLURFBYSSZ-NUJGCVRESA-N 3 1 348.510 2.383 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C[NH3+] ZINC001348834170 1337582362 /nfs/dbraw/zinc/58/23/62/1337582362.db2.gz KQNQZLURFBYSSZ-NUJGCVRESA-N 3 1 348.510 2.383 20 10 EECDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846139471 790072818 /nfs/dbraw/zinc/07/28/18/790072818.db2.gz NUICTEMOZFHMJV-MRXNPFEDSA-N 2 1 335.492 2.469 20 10 EECDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000771818417 577232466 /nfs/dbraw/zinc/23/24/66/577232466.db2.gz KDQFMKCMHHWJBB-LJQANCHMSA-N 3 1 330.520 2.258 20 10 EECDMP CN(C)c1ccc([C@H]([NH3+])CNCc2ncc(C[NH+](C)C)s2)cc1 ZINC000841040925 692119518 /nfs/dbraw/zinc/11/95/18/692119518.db2.gz CQOQVLVWQGOULF-MRXNPFEDSA-N 2 1 333.505 2.060 20 10 EECDMP Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c(O)c1 ZINC001272767222 1193488554 /nfs/dbraw/zinc/48/85/54/1193488554.db2.gz YPSAPNWNEHYHKO-HXUWFJFHSA-N 2 1 345.487 2.219 20 10 EECDMP Cn1ncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC000883283575 1202040499 /nfs/dbraw/zinc/04/04/99/1202040499.db2.gz KPGBYTPUDHSXKF-UHFFFAOYSA-N 2 1 333.867 2.115 20 10 EECDMP COc1cccc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c1O ZINC001275269929 1205295129 /nfs/dbraw/zinc/29/51/29/1205295129.db2.gz AHHVACCBGAZADE-UHFFFAOYSA-N 2 1 347.503 2.250 20 10 EECDMP COc1cccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c1O ZINC001275269929 1205295132 /nfs/dbraw/zinc/29/51/32/1205295132.db2.gz AHHVACCBGAZADE-UHFFFAOYSA-N 2 1 347.503 2.250 20 10 EECDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001275913122 1205583081 /nfs/dbraw/zinc/58/30/81/1205583081.db2.gz IJRADMSBXCQFED-IBGZPJMESA-N 2 1 335.467 2.381 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC3(CCC[N@@H+](C)C3)CC2)c(O)c1 ZINC001277421383 1302951668 /nfs/dbraw/zinc/95/16/68/1302951668.db2.gz VWSNQPORGRMFLI-UHFFFAOYSA-N 2 1 346.471 2.416 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC001236319936 1305559877 /nfs/dbraw/zinc/55/98/77/1305559877.db2.gz ICNWFTTUEIJSAV-BGYRXZFFSA-N 3 1 342.531 2.260 20 10 EECDMP C[N@H+]1[C@@H]2CC[C@H]1CN(Cc1ccc(N3CC[NH+](C)CC3)cc1F)CC2 ZINC001236941470 1305739402 /nfs/dbraw/zinc/73/94/02/1305739402.db2.gz BQRPPPSOGIUCEF-MJGOQNOKSA-N 2 1 346.494 2.246 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@](F)(CO)CC2)cc(C[NH+](C)C)c1O ZINC001139255689 1314722159 /nfs/dbraw/zinc/72/21/59/1314722159.db2.gz RMOVEYFMCUERQM-SFHVURJKSA-N 2 1 340.439 2.149 20 10 EECDMP CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410730 1314740647 /nfs/dbraw/zinc/74/06/47/1314740647.db2.gz AWZIMDAIVZWFJI-HXUWFJFHSA-N 2 1 330.520 2.353 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCC2(C1)OCCO2 ZINC001139411204 1314740787 /nfs/dbraw/zinc/74/07/87/1314740787.db2.gz ZDRRWEAMUXLZIN-IBGZPJMESA-N 2 1 345.487 2.166 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CCC2(C1)OCCO2 ZINC001139411205 1314741059 /nfs/dbraw/zinc/74/10/59/1314741059.db2.gz ZDRRWEAMUXLZIN-LJQANCHMSA-N 2 1 345.487 2.166 20 10 EECDMP COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1C ZINC001139412115 1314741760 /nfs/dbraw/zinc/74/17/60/1314741760.db2.gz FWVXEAKEXJNJBJ-APWZRJJASA-N 2 1 345.487 2.212 20 10 EECDMP CCOC(=O)CC[N@@H+](C)Cc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001140304622 1314862079 /nfs/dbraw/zinc/86/20/79/1314862079.db2.gz WMOHWNGNHQCVSF-UHFFFAOYSA-N 2 1 333.476 2.214 20 10 EECDMP CC[N@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H](C)C(=O)OC ZINC001140309407 1314864777 /nfs/dbraw/zinc/86/47/77/1314864777.db2.gz FLOSLOFICLOGGW-INIZCTEOSA-N 2 1 333.476 2.212 20 10 EECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H](C)C(=O)OC ZINC001140309407 1314864780 /nfs/dbraw/zinc/86/47/80/1314864780.db2.gz FLOSLOFICLOGGW-INIZCTEOSA-N 2 1 333.476 2.212 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117101 1315867685 /nfs/dbraw/zinc/86/76/85/1315867685.db2.gz SNPSNKCPYJVITB-MRXNPFEDSA-N 2 1 347.503 2.332 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117101 1315867688 /nfs/dbraw/zinc/86/76/88/1315867688.db2.gz SNPSNKCPYJVITB-MRXNPFEDSA-N 2 1 347.503 2.332 20 10 EECDMP Nc1cc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)nc[nH+]1 ZINC001160624508 1320216099 /nfs/dbraw/zinc/21/60/99/1320216099.db2.gz PVNDQXKWCWHRNE-QZTJIDSGSA-N 2 1 337.383 2.323 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC001205009381 1322263795 /nfs/dbraw/zinc/26/37/95/1322263795.db2.gz PUONQCPRMCABNF-LJQANCHMSA-N 3 1 330.520 2.260 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC001205009381 1322263800 /nfs/dbraw/zinc/26/38/00/1322263800.db2.gz PUONQCPRMCABNF-LJQANCHMSA-N 2 1 330.520 2.260 20 10 EECDMP [NH3+]C[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC1 ZINC001205570085 1323201105 /nfs/dbraw/zinc/20/11/05/1323201105.db2.gz FIWNNHUUCISXST-SFHVURJKSA-N 2 1 339.430 2.315 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(CO)C3)cc2F)CC1 ZINC001319822977 1332777012 /nfs/dbraw/zinc/77/70/12/1332777012.db2.gz JTWSXBUNWRIPCQ-IBGZPJMESA-N 2 1 335.467 2.172 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(CO)C3)cc2F)CC1 ZINC001319822977 1332777015 /nfs/dbraw/zinc/77/70/15/1332777015.db2.gz JTWSXBUNWRIPCQ-IBGZPJMESA-N 2 1 335.467 2.172 20 10 EECDMP C[N@H+](CCOCC1CC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319961674 1332802329 /nfs/dbraw/zinc/80/23/29/1332802329.db2.gz DQRMOVDUIAZMIY-UHFFFAOYSA-N 2 1 335.467 2.436 20 10 EECDMP C[N@@H+](CCOCC1CC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001319961674 1332802333 /nfs/dbraw/zinc/80/23/33/1332802333.db2.gz DQRMOVDUIAZMIY-UHFFFAOYSA-N 2 1 335.467 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CO)CC3)cc2F)CC1 ZINC001324291568 1333650284 /nfs/dbraw/zinc/65/02/84/1333650284.db2.gz RKAMKONJHIGPTA-MRXNPFEDSA-N 2 1 335.467 2.172 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CO)CC3)cc2F)CC1 ZINC001324291568 1333650288 /nfs/dbraw/zinc/65/02/88/1333650288.db2.gz RKAMKONJHIGPTA-MRXNPFEDSA-N 2 1 335.467 2.172 20 10 EECDMP C[NH+](C)C[C@@]12C[C@@H]1C[N@@H+](Cc1cc3c4c(c1O)CCCN4CCC3)C2 ZINC001138340925 1372385076 /nfs/dbraw/zinc/38/50/76/1372385076.db2.gz BVNZEDOCAOAAGI-DYESRHJHSA-N 2 1 341.499 2.475 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000809705021 783320109 /nfs/dbraw/zinc/32/01/09/783320109.db2.gz MAHKWRCTNKPUEE-WCRBZPEASA-N 3 1 342.531 2.495 20 10 EECDMP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000809705021 783320117 /nfs/dbraw/zinc/32/01/17/783320117.db2.gz MAHKWRCTNKPUEE-WCRBZPEASA-N 3 1 342.531 2.495 20 10 EECDMP C[NH+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000809705021 783320127 /nfs/dbraw/zinc/32/01/27/783320127.db2.gz MAHKWRCTNKPUEE-WCRBZPEASA-N 3 1 342.531 2.495 20 10 EECDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(O)cccc1OC ZINC000809737371 783345922 /nfs/dbraw/zinc/34/59/22/783345922.db2.gz GRMDHRIZWKGAPC-INIZCTEOSA-N 2 1 335.492 2.249 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1C ZINC001129840367 811013428 /nfs/dbraw/zinc/01/34/28/811013428.db2.gz FUPHQPRTTVLTPL-KRWDZBQOSA-N 2 1 333.476 2.084 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823464 577232824 /nfs/dbraw/zinc/23/28/24/577232824.db2.gz CWARXCJOVSBXBV-ICSRJNTNSA-N 3 1 328.504 2.155 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823464 577232825 /nfs/dbraw/zinc/23/28/25/577232825.db2.gz CWARXCJOVSBXBV-ICSRJNTNSA-N 2 1 328.504 2.155 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000771823464 577232826 /nfs/dbraw/zinc/23/28/26/577232826.db2.gz CWARXCJOVSBXBV-ICSRJNTNSA-N 2 1 328.504 2.155 20 10 EECDMP CC(C)[N@H+]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000775637541 577441481 /nfs/dbraw/zinc/44/14/81/577441481.db2.gz QQTZAIPMIYHATA-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)[C@H](O)CO2 ZINC000768448887 577555890 /nfs/dbraw/zinc/55/58/90/577555890.db2.gz YCYONKDUMLKYBL-CRAIPNDOSA-N 2 1 332.444 2.268 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)[C@H](O)CO2 ZINC000768448887 577555891 /nfs/dbraw/zinc/55/58/91/577555891.db2.gz YCYONKDUMLKYBL-CRAIPNDOSA-N 2 1 332.444 2.268 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1C ZINC001020590350 675219361 /nfs/dbraw/zinc/21/93/61/675219361.db2.gz SZTZXXZPHTXERP-WBAXXEDZSA-N 2 1 345.487 2.082 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn(C(C)(C)C)nn3)cc2)CC1 ZINC000883283887 1202040534 /nfs/dbraw/zinc/04/05/34/1202040534.db2.gz XABWSADXGCIHCK-UHFFFAOYSA-N 2 1 342.491 2.075 20 10 EECDMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3c(C)cc(C)cc3O)CC[C@@H]2C1 ZINC001231844186 1303929161 /nfs/dbraw/zinc/92/91/61/1303929161.db2.gz FYEQNISLOFYBJH-YLJYHZDGSA-N 2 1 348.487 2.178 20 10 EECDMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3c(C)cc(C)cc3O)CC[C@@H]2C1 ZINC001231844186 1303929165 /nfs/dbraw/zinc/92/91/65/1303929165.db2.gz FYEQNISLOFYBJH-YLJYHZDGSA-N 2 1 348.487 2.178 20 10 EECDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3c(C)cc(C)cc3O)CC[C@@H]2C1 ZINC001231844186 1303929168 /nfs/dbraw/zinc/92/91/68/1303929168.db2.gz FYEQNISLOFYBJH-YLJYHZDGSA-N 2 1 348.487 2.178 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCNC[C@H]3C(C)C)cc2)CC1 ZINC001235457705 1305240663 /nfs/dbraw/zinc/24/06/63/1305240663.db2.gz XWTMBAPIEQYPOC-FQEVSTJZSA-N 2 1 330.520 2.258 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCNC[C@H]3C(C)C)cc2)CC1 ZINC001235457705 1305240666 /nfs/dbraw/zinc/24/06/66/1305240666.db2.gz XWTMBAPIEQYPOC-FQEVSTJZSA-N 2 1 330.520 2.258 20 10 EECDMP COc1cc(O)c(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)cc1OC ZINC001236756969 1305661555 /nfs/dbraw/zinc/66/15/55/1305661555.db2.gz YUSBNSRCARNHBP-UHFFFAOYSA-N 2 1 349.431 2.039 20 10 EECDMP COc1cc(C)c(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001236815043 1305687730 /nfs/dbraw/zinc/68/77/30/1305687730.db2.gz GXOOSHBDVBEUBL-UHFFFAOYSA-N 2 1 347.503 2.169 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc(C[NH+](C)C)c1O ZINC001139255660 1314722260 /nfs/dbraw/zinc/72/22/60/1314722260.db2.gz WWROAVPKEJQZOA-JLJPHGGASA-N 2 1 334.460 2.462 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC[C@H]4C3)cc2)CC1 ZINC001140306765 1314863146 /nfs/dbraw/zinc/86/31/46/1314863146.db2.gz XAKRHGVGOAAGKM-ICSRJNTNSA-N 2 1 329.488 2.439 20 10 EECDMP Cc1cc(N(C)C)ccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000840932322 1315439781 /nfs/dbraw/zinc/43/97/81/1315439781.db2.gz PGCPKGVMFYTBGF-UHFFFAOYSA-N 2 1 332.536 2.424 20 10 EECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843125761 1315849475 /nfs/dbraw/zinc/84/94/75/1315849475.db2.gz HKBCQFNHHQUEGU-OALUTQOASA-N 2 1 329.488 2.345 20 10 EECDMP COc1ccc(N2CC[NH+](C[C@H]3[C@@H](C)C[NH2+]CC3(F)F)CC2)cc1 ZINC001204621764 1322197455 /nfs/dbraw/zinc/19/74/55/1322197455.db2.gz MRFLXUKJFZQFSD-YOEHRIQHSA-N 2 1 339.430 2.308 20 10 EECDMP COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@@](O)(C[NH3+])C3)c2c1 ZINC001205726701 1323271157 /nfs/dbraw/zinc/27/11/57/1323271157.db2.gz WVMNAXKNAQSSSP-LJQANCHMSA-N 2 1 330.428 2.230 20 10 EECDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1F ZINC001206185640 1323418247 /nfs/dbraw/zinc/41/82/47/1323418247.db2.gz OOEGJYIJNLFZSR-CVEARBPZSA-N 2 1 341.858 2.438 20 10 EECDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1F ZINC001206185640 1323418248 /nfs/dbraw/zinc/41/82/48/1323418248.db2.gz OOEGJYIJNLFZSR-CVEARBPZSA-N 2 1 341.858 2.438 20 10 EECDMP CC[NH2+]CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001326501834 1334105875 /nfs/dbraw/zinc/10/58/75/1334105875.db2.gz HWERZCWAWTUQLL-UHFFFAOYSA-N 3 1 348.510 2.399 20 10 EECDMP CN1CCN(c2ccc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)cc2F)CC1 ZINC001326796265 1334160804 /nfs/dbraw/zinc/16/08/04/1334160804.db2.gz FKUZRYBBMYJHIN-KRWDZBQOSA-N 2 1 348.510 2.399 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cc2F)CC1 ZINC001326796265 1334160806 /nfs/dbraw/zinc/16/08/06/1334160806.db2.gz FKUZRYBBMYJHIN-KRWDZBQOSA-N 3 1 348.510 2.399 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)cc2F)CC1 ZINC001326796265 1334160809 /nfs/dbraw/zinc/16/08/09/1334160809.db2.gz FKUZRYBBMYJHIN-KRWDZBQOSA-N 3 1 348.510 2.399 20 10 EECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@H](C)C1 ZINC000771844284 577233927 /nfs/dbraw/zinc/23/39/27/577233927.db2.gz YBUVGTFIKRAGBG-XLIONFOSSA-N 3 1 330.520 2.258 20 10 EECDMP CCOC(=O)C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000775658408 577441945 /nfs/dbraw/zinc/44/19/45/577441945.db2.gz OFURJKVSAUDCQZ-UHFFFAOYSA-N 2 1 333.476 2.212 20 10 EECDMP CCOC(=O)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000775658408 577441946 /nfs/dbraw/zinc/44/19/46/577441946.db2.gz OFURJKVSAUDCQZ-UHFFFAOYSA-N 2 1 333.476 2.212 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736285 577444244 /nfs/dbraw/zinc/44/42/44/577444244.db2.gz BKBBUJZUIMNAMC-RBUKOAKNSA-N 2 1 347.528 2.145 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C1)[C@H](O)CO2 ZINC000768462932 577556305 /nfs/dbraw/zinc/55/63/05/577556305.db2.gz OXCJZSXEOMLWJD-OMWUSAIZSA-N 2 1 344.455 2.267 20 10 EECDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C1)[C@H](O)CO2 ZINC000768462932 577556306 /nfs/dbraw/zinc/55/63/06/577556306.db2.gz OXCJZSXEOMLWJD-OMWUSAIZSA-N 2 1 344.455 2.267 20 10 EECDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C1)[C@H](O)CO2 ZINC000768462932 577556307 /nfs/dbraw/zinc/55/63/07/577556307.db2.gz OXCJZSXEOMLWJD-OMWUSAIZSA-N 2 1 344.455 2.267 20 10 EECDMP C[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2CC1 ZINC001275174518 1205275158 /nfs/dbraw/zinc/27/51/58/1205275158.db2.gz WREUGHSJKRYKSC-KDURUIRLSA-N 2 1 343.515 2.421 20 10 EECDMP C[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2CC1 ZINC001275174518 1205275159 /nfs/dbraw/zinc/27/51/59/1205275159.db2.gz WREUGHSJKRYKSC-KDURUIRLSA-N 2 1 343.515 2.421 20 10 EECDMP C[NH+]1CC[C@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@H]2CC1 ZINC001275174518 1205275160 /nfs/dbraw/zinc/27/51/60/1205275160.db2.gz WREUGHSJKRYKSC-KDURUIRLSA-N 2 1 343.515 2.421 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000850406910 1277216832 /nfs/dbraw/zinc/21/68/32/1277216832.db2.gz YRISBHZRDIQSHV-PKOBYXMFSA-N 2 1 329.488 2.364 20 10 EECDMP c1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)CCN2)cc1 ZINC001235852460 1305424409 /nfs/dbraw/zinc/42/44/09/1305424409.db2.gz DZQWUUSKTNIQLK-NRFANRHFSA-N 2 1 336.483 2.243 20 10 EECDMP c1ccc([C@@H]2CN(Cc3ccc(N4CC[NH2+]CC4)cc3)CC[NH2+]2)cc1 ZINC001235852460 1305424421 /nfs/dbraw/zinc/42/44/21/1305424421.db2.gz DZQWUUSKTNIQLK-NRFANRHFSA-N 2 1 336.483 2.243 20 10 EECDMP C[NH+](C)CCN(Cc1cc(F)cc(Cl)c1O)[C@H]1CCC[NH2+]C1 ZINC001236932358 1305735336 /nfs/dbraw/zinc/73/53/36/1305735336.db2.gz MDOCQDUPDMTUAB-AWEZNQCLSA-N 2 1 329.847 2.300 20 10 EECDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236936944 1305736673 /nfs/dbraw/zinc/73/66/73/1305736673.db2.gz VICIGDKGMMPXFR-JKSUJKDBSA-N 2 1 334.483 2.102 20 10 EECDMP CCOC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)CCC12C[NH2+]C2 ZINC001237431250 1305930066 /nfs/dbraw/zinc/93/00/66/1305930066.db2.gz PTBKJISIFGAQQV-QGZVFWFLSA-N 2 1 345.487 2.036 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CCOC4)C3)cc2)CC1 ZINC001139408022 1314740192 /nfs/dbraw/zinc/74/01/92/1314740192.db2.gz IPPSDDPPAJUCEW-FQEVSTJZSA-N 2 1 329.488 2.441 20 10 EECDMP COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139409660 1314740601 /nfs/dbraw/zinc/74/06/01/1314740601.db2.gz OZRMHMUURIIWNY-AEFFLSMTSA-N 2 1 345.487 2.212 20 10 EECDMP CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]2C1 ZINC001139410757 1314740803 /nfs/dbraw/zinc/74/08/03/1314740803.db2.gz CKMOYKFVTMADLM-BGYRXZFFSA-N 3 1 342.531 2.212 20 10 EECDMP CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]2C1 ZINC001139410757 1314740806 /nfs/dbraw/zinc/74/08/06/1314740806.db2.gz CKMOYKFVTMADLM-BGYRXZFFSA-N 3 1 342.531 2.212 20 10 EECDMP CCC[N@H+]1C[C@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC001139410757 1314740808 /nfs/dbraw/zinc/74/08/08/1314740808.db2.gz CKMOYKFVTMADLM-BGYRXZFFSA-N 2 1 342.531 2.212 20 10 EECDMP CCC[N@@H+]1C[C@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC001139410757 1314740813 /nfs/dbraw/zinc/74/08/13/1314740813.db2.gz CKMOYKFVTMADLM-BGYRXZFFSA-N 2 1 342.531 2.212 20 10 EECDMP COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412057 1314741750 /nfs/dbraw/zinc/74/17/50/1314741750.db2.gz BXTRKIGKYHLTMM-FUHWJXTLSA-N 2 1 345.487 2.069 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(=O)OC)C3)cc2)CC1 ZINC001140300885 1314859233 /nfs/dbraw/zinc/85/92/33/1314859233.db2.gz VVKNCVZHWAFPLK-GOSISDBHSA-N 2 1 345.487 2.214 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@H](O)CC3)cc2)CC1 ZINC001140301967 1314860591 /nfs/dbraw/zinc/86/05/91/1314860591.db2.gz FZEYXCBFLOOYNX-YLJYHZDGSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC001140304667 1314862007 /nfs/dbraw/zinc/86/20/07/1314862007.db2.gz XVEDRNBELNRBNX-NRFANRHFSA-N 2 1 342.531 2.499 20 10 EECDMP [NH3+]C[C@@]1(O)CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001205726490 1323270860 /nfs/dbraw/zinc/27/08/60/1323270860.db2.gz SSMSNCPXOFWTAT-HNNXBMFYSA-N 2 1 348.365 2.009 20 10 EECDMP CO[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(F)(F)F ZINC001318567485 1332561676 /nfs/dbraw/zinc/56/16/76/1332561676.db2.gz YTQYISSMJRWQNO-OAHLLOKOSA-N 2 1 349.372 2.244 20 10 EECDMP Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001323828983 1333549146 /nfs/dbraw/zinc/54/91/46/1333549146.db2.gz FQODCFHNRDLMNJ-BZUAXINKSA-N 2 1 345.487 2.426 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[C@H]1O ZINC001337065827 1336638776 /nfs/dbraw/zinc/63/87/76/1336638776.db2.gz UGOOLYNUZPGXMK-QFBILLFUSA-N 2 1 335.467 2.170 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[C@H]1O ZINC001337065827 1336638779 /nfs/dbraw/zinc/63/87/79/1336638779.db2.gz UGOOLYNUZPGXMK-QFBILLFUSA-N 2 1 335.467 2.170 20 10 EECDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001140622050 1372622127 /nfs/dbraw/zinc/62/21/27/1372622127.db2.gz WCNIZIBFIFYPRP-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(O)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001140622050 1372622131 /nfs/dbraw/zinc/62/21/31/1372622131.db2.gz WCNIZIBFIFYPRP-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(O)c(C[NH+]2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001140622050 1372622136 /nfs/dbraw/zinc/62/21/36/1372622136.db2.gz WCNIZIBFIFYPRP-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001140622050 1372622141 /nfs/dbraw/zinc/62/21/41/1372622141.db2.gz WCNIZIBFIFYPRP-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP Cc1ccc(O)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001140622050 1372622143 /nfs/dbraw/zinc/62/21/43/1372622143.db2.gz WCNIZIBFIFYPRP-MJGOQNOKSA-N 2 1 340.471 2.388 20 10 EECDMP CCOCc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1OC ZINC000171767758 791467987 /nfs/dbraw/zinc/46/79/87/791467987.db2.gz VXAFTYUTJKJWRO-UHFFFAOYSA-N 2 1 349.519 2.349 20 10 EECDMP CCOc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC000119521087 462908187 /nfs/dbraw/zinc/90/81/87/462908187.db2.gz QEGBHHRSSXAKMB-UHFFFAOYSA-N 2 1 333.476 2.004 20 10 EECDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000165182002 463640427 /nfs/dbraw/zinc/64/04/27/463640427.db2.gz NANMWRWKZGSJAW-IIDMSEBBSA-N 2 1 335.467 2.481 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000763332801 577719342 /nfs/dbraw/zinc/71/93/42/577719342.db2.gz GMMNVFNHOMWGOR-FUHWJXTLSA-N 2 1 347.503 2.167 20 10 EECDMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1C ZINC000756551662 577846481 /nfs/dbraw/zinc/84/64/81/577846481.db2.gz WGTFNFMBFITLCR-JKSUJKDBSA-N 2 1 333.476 2.247 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(=O)[nH]1 ZINC000897392366 688758199 /nfs/dbraw/zinc/75/81/99/688758199.db2.gz YZGSASPSSVZXDZ-UHFFFAOYSA-N 2 1 326.444 2.171 20 10 EECDMP c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925476463 1206117235 /nfs/dbraw/zinc/11/72/35/1206117235.db2.gz OKXKUGVYMSPOKP-BSWVEEBUSA-N 2 1 329.513 2.326 20 10 EECDMP CN(C)c1ccc(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)c2ccccc21 ZINC001222085517 1299334837 /nfs/dbraw/zinc/33/48/37/1299334837.db2.gz AUZJNUFHHKWSSZ-UHFFFAOYSA-N 2 1 338.499 2.433 20 10 EECDMP C[NH+](C)CCN1CC[N@@H+](Cc2c(O)ccc3ccccc32)CCC1=O ZINC001231591105 1303857959 /nfs/dbraw/zinc/85/79/59/1303857959.db2.gz SZJNVXHZJHJFJJ-UHFFFAOYSA-N 2 1 341.455 2.141 20 10 EECDMP CCOC(=O)c1c(C[N@@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c2ccccc2n1C ZINC001235938975 1305451722 /nfs/dbraw/zinc/45/17/22/1305451722.db2.gz NIGPWMBYVGDESR-CABCVRRESA-N 2 1 341.455 2.396 20 10 EECDMP CCOC(=O)c1c(C[N@H+]2C[C@H]3CC[NH2+]C[C@H]3C2)c2ccccc2n1C ZINC001235938975 1305451728 /nfs/dbraw/zinc/45/17/28/1305451728.db2.gz NIGPWMBYVGDESR-CABCVRRESA-N 2 1 341.455 2.396 20 10 EECDMP CC[N@@H+](CCn1ccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139411015 1314741180 /nfs/dbraw/zinc/74/11/80/1314741180.db2.gz QFZFEXXWLFGAJQ-UHFFFAOYSA-N 2 1 327.476 2.157 20 10 EECDMP COc1cc(O)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205145845 1322297484 /nfs/dbraw/zinc/29/74/84/1322297484.db2.gz KBFHEGGJBCXLOZ-GXSJLCMTSA-N 2 1 329.238 2.190 20 10 EECDMP COc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1Br ZINC001205145845 1322297487 /nfs/dbraw/zinc/29/74/87/1322297487.db2.gz KBFHEGGJBCXLOZ-GXSJLCMTSA-N 2 1 329.238 2.190 20 10 EECDMP COCC[N@H+](Cc1c(C)cc(OC)cc1O)CC1CC[NH+](C)CC1 ZINC001308895935 1331608072 /nfs/dbraw/zinc/60/80/72/1331608072.db2.gz XDFLCPITZUSSSK-UHFFFAOYSA-N 2 1 336.476 2.499 20 10 EECDMP C[N@H+](CCc1cnccn1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320061505 1332817556 /nfs/dbraw/zinc/81/75/56/1332817556.db2.gz TXSCLEWJYAUOHU-UHFFFAOYSA-N 2 1 343.450 2.042 20 10 EECDMP C[N@@H+](CCc1cnccn1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320061505 1332817558 /nfs/dbraw/zinc/81/75/58/1332817558.db2.gz TXSCLEWJYAUOHU-UHFFFAOYSA-N 2 1 343.450 2.042 20 10 EECDMP CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326187485 1334039473 /nfs/dbraw/zinc/03/94/73/1334039473.db2.gz GWFDNXKFSBYCMT-NVXWUHKLSA-N 2 1 337.483 2.464 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)C2)cc1C ZINC001752733649 1406367483 /nfs/dbraw/zinc/36/74/83/1406367483.db2.gz VSJZQHGJDISMKS-CALCHBBNSA-N 2 1 345.487 2.225 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@@H]43)cc2)CC1 ZINC000809767571 783338994 /nfs/dbraw/zinc/33/89/94/783338994.db2.gz ONCAQXZWFDZUSO-CTNGQTDRSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)cc2)CC1 ZINC000809767571 783339005 /nfs/dbraw/zinc/33/90/05/783339005.db2.gz ONCAQXZWFDZUSO-CTNGQTDRSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)cc2)CC1 ZINC000809767571 783339015 /nfs/dbraw/zinc/33/90/15/783339015.db2.gz ONCAQXZWFDZUSO-CTNGQTDRSA-N 3 1 342.531 2.355 20 10 EECDMP COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC001090956926 789160520 /nfs/dbraw/zinc/16/05/20/789160520.db2.gz OKLREMDWATWNSW-ABHNRTSZSA-N 2 1 345.487 2.082 20 10 EECDMP COc1cc(O)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c(Br)c1 ZINC001205124017 795373656 /nfs/dbraw/zinc/37/36/56/795373656.db2.gz IVRIHGWNPYJYLI-SNVBAGLBSA-N 2 1 329.238 2.477 20 10 EECDMP COc1cc(O)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c(Br)c1 ZINC001205124017 795373664 /nfs/dbraw/zinc/37/36/64/795373664.db2.gz IVRIHGWNPYJYLI-SNVBAGLBSA-N 2 1 329.238 2.477 20 10 EECDMP COc1ccc(O)c(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000179910048 464207744 /nfs/dbraw/zinc/20/77/44/464207744.db2.gz KFGBTSYEMJSKFK-IRXDYDNUSA-N 2 1 347.503 2.391 20 10 EECDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)CC1 ZINC000293093249 464386937 /nfs/dbraw/zinc/38/69/37/464386937.db2.gz NIQIFTNABJNFCY-IBGZPJMESA-N 2 1 330.520 2.273 20 10 EECDMP CCCNC(=O)C[N@@H+](CCC)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000775659264 577441971 /nfs/dbraw/zinc/44/19/71/577441971.db2.gz ZRODGCTYPANOBX-UHFFFAOYSA-N 2 1 346.519 2.177 20 10 EECDMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000128067420 693144239 /nfs/dbraw/zinc/14/42/39/693144239.db2.gz JLGFAKCAABLLJK-PKOBYXMFSA-N 2 1 346.519 2.381 20 10 EECDMP C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000883289653 1202041426 /nfs/dbraw/zinc/04/14/26/1202041426.db2.gz WFKPRJBGBWLQMJ-QGZVFWFLSA-N 2 1 330.520 2.258 20 10 EECDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001216225554 1297112408 /nfs/dbraw/zinc/11/24/08/1297112408.db2.gz GRWJJHITOBRGIN-SJLPKXTDSA-N 2 1 347.503 2.282 20 10 EECDMP Nc1ccc2c(c1)CC[N@H+](Cc1cc3c(cc1O)OCC[NH2+]C3)C2 ZINC001236104790 1305502530 /nfs/dbraw/zinc/50/25/30/1305502530.db2.gz AQXWLAJOLYRBRC-UHFFFAOYSA-N 2 1 325.412 2.015 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CCO)C3)c(F)c2)CC1 ZINC001236938312 1305738926 /nfs/dbraw/zinc/73/89/26/1305738926.db2.gz LQZVWILHRPWVHM-INIZCTEOSA-N 2 1 335.467 2.172 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4C(=O)CCC[C@@H]4C3)cc2)CC1 ZINC001139411223 1314741145 /nfs/dbraw/zinc/74/11/45/1314741145.db2.gz AJOXRLVWOZCYIX-MJGOQNOKSA-N 2 1 327.472 2.239 20 10 EECDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000840761048 1315409087 /nfs/dbraw/zinc/40/90/87/1315409087.db2.gz ONLHRSBIFWJRGR-HIFRSBDPSA-N 2 1 339.430 2.374 20 10 EECDMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000840761048 1315409088 /nfs/dbraw/zinc/40/90/88/1315409088.db2.gz ONLHRSBIFWJRGR-HIFRSBDPSA-N 2 1 339.430 2.374 20 10 EECDMP C[NH2+]CCC1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000843057395 1315831678 /nfs/dbraw/zinc/83/16/78/1315831678.db2.gz KANGEYFCABXGLC-UHFFFAOYSA-N 2 1 330.520 2.260 20 10 EECDMP COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320709490 1332938643 /nfs/dbraw/zinc/93/86/43/1332938643.db2.gz UDYVWAIAWYHERO-RDJZCZTQSA-N 2 1 349.450 2.009 20 10 EECDMP COCCO[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001321323788 1333075189 /nfs/dbraw/zinc/07/51/89/1333075189.db2.gz GKYDOMXXMNQGSV-FQEVSTJZSA-N 2 1 347.503 2.066 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3(O)CCCCC3)cc2F)CC1 ZINC001323470697 1333470160 /nfs/dbraw/zinc/47/01/60/1333470160.db2.gz GMTHUEVDRWURKV-UHFFFAOYSA-N 2 1 335.467 2.362 20 10 EECDMP C[C@@H](COCC1CC1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326526815 1334110049 /nfs/dbraw/zinc/11/00/49/1334110049.db2.gz HKOSTFBYYNWKAY-HNNXBMFYSA-N 2 1 335.467 2.482 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC000998731248 793317005 /nfs/dbraw/zinc/31/70/05/793317005.db2.gz MNUVUCUTACSSOD-MSOLQXFVSA-N 2 1 345.487 2.178 20 10 EECDMP Oc1cc2ccccc2cc1CNc1nc(N2CC[NH2+]CC2)cc[nH+]1 ZINC001171400706 794805698 /nfs/dbraw/zinc/80/56/98/794805698.db2.gz YEBUXMAQNQGIQX-UHFFFAOYSA-N 2 1 335.411 2.357 20 10 EECDMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc(Br)ccc1O ZINC000702587166 1196021052 /nfs/dbraw/zinc/02/10/52/1196021052.db2.gz LUHCARNIEQKYEY-DZGCQCFKSA-N 2 1 343.265 2.262 20 10 EECDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3cccc(C)c3O)C[C@H]2CC1 ZINC001276079594 1205763302 /nfs/dbraw/zinc/76/33/02/1205763302.db2.gz AZVAGXTWUCUHMJ-HDICACEKSA-N 2 1 348.487 2.465 20 10 EECDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3cccc(C)c3O)C[C@H]2CC1 ZINC001276079594 1205763303 /nfs/dbraw/zinc/76/33/03/1205763303.db2.gz AZVAGXTWUCUHMJ-HDICACEKSA-N 2 1 348.487 2.465 20 10 EECDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3cccc(C)c3O)C[C@H]2CC1 ZINC001276079594 1205763304 /nfs/dbraw/zinc/76/33/04/1205763304.db2.gz AZVAGXTWUCUHMJ-HDICACEKSA-N 2 1 348.487 2.465 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+](C)C3CCC([NH3+])CC3)cc2F)CC1 ZINC001118241425 1306323475 /nfs/dbraw/zinc/32/34/75/1306323475.db2.gz FSBDQWJZZCKZBS-UHFFFAOYSA-N 2 1 334.483 2.279 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCC([NH3+])CC1 ZINC001118241425 1306323494 /nfs/dbraw/zinc/32/34/94/1306323494.db2.gz FSBDQWJZZCKZBS-UHFFFAOYSA-N 3 1 334.483 2.279 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C1CCC([NH3+])CC1 ZINC001118241425 1306323513 /nfs/dbraw/zinc/32/35/13/1306323513.db2.gz FSBDQWJZZCKZBS-UHFFFAOYSA-N 3 1 334.483 2.279 20 10 EECDMP COc1ccc(N2CC[NH+](C[C@@H]3[C@@H](C)C[NH2+]CC3(F)F)CC2)cc1 ZINC001204621763 1322197446 /nfs/dbraw/zinc/19/74/46/1322197446.db2.gz MRFLXUKJFZQFSD-WMLDXEAASA-N 2 1 339.430 2.308 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](F)(C[NH3+])CC3)cc2)CC1 ZINC001205558869 1323194789 /nfs/dbraw/zinc/19/47/89/1323194789.db2.gz KQXONKJFVOTMNB-FQEVSTJZSA-N 3 1 348.510 2.481 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@H]1C[NH3+] ZINC001205651420 1323229905 /nfs/dbraw/zinc/22/99/05/1323229905.db2.gz DZJDRJCUYNNTRN-SJORKVTESA-N 3 1 348.510 2.384 20 10 EECDMP C[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@H]1C[NH3+] ZINC001205651420 1323229915 /nfs/dbraw/zinc/22/99/15/1323229915.db2.gz DZJDRJCUYNNTRN-SJORKVTESA-N 2 1 348.510 2.384 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CC[C@H]1C[NH3+] ZINC001205651420 1323229921 /nfs/dbraw/zinc/22/99/21/1323229921.db2.gz DZJDRJCUYNNTRN-SJORKVTESA-N 2 1 348.510 2.384 20 10 EECDMP Cc1cc(C[N@@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)cc1Br ZINC001205735676 1323275316 /nfs/dbraw/zinc/27/53/16/1323275316.db2.gz PKHDCKHTBSZLMC-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP Cc1cc(C[N@H+]2CCCC[C@@](O)(C[NH3+])C2)c(O)cc1Br ZINC001205735676 1323275325 /nfs/dbraw/zinc/27/53/25/1323275325.db2.gz PKHDCKHTBSZLMC-OAHLLOKOSA-N 2 1 343.265 2.139 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206003156 1323366831 /nfs/dbraw/zinc/36/68/31/1323366831.db2.gz FMKJYNQBEACAAP-HOTGVXAUSA-N 2 1 335.467 2.469 20 10 EECDMP CN1CCCc2cc(C[N@@H+]3[C@@H]4CC[C@H]3CN(CC[NH+](C)C)C4)ccc21 ZINC001276580608 1324632689 /nfs/dbraw/zinc/63/26/89/1324632689.db2.gz MWVZGLSDJSAGOS-BGYRXZFFSA-N 2 1 342.531 2.279 20 10 EECDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC001331062278 1334956047 /nfs/dbraw/zinc/95/60/47/1334956047.db2.gz RAXKDLYKTLRJOP-CYBMUJFWSA-N 2 1 327.384 2.227 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[C@@H]1O ZINC001337065821 1336638955 /nfs/dbraw/zinc/63/89/55/1336638955.db2.gz UGOOLYNUZPGXMK-APWZRJJASA-N 2 1 335.467 2.170 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@H]1CCC[C@@H]1O ZINC001337065821 1336638958 /nfs/dbraw/zinc/63/89/58/1336638958.db2.gz UGOOLYNUZPGXMK-APWZRJJASA-N 2 1 335.467 2.170 20 10 EECDMP COc1ccc(C[NH2+]C2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC001090956927 789160879 /nfs/dbraw/zinc/16/08/79/789160879.db2.gz OKLREMDWATWNSW-DAWZGUTISA-N 2 1 345.487 2.082 20 10 EECDMP Cc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000788593151 807598227 /nfs/dbraw/zinc/59/82/27/807598227.db2.gz FJQLBQOEKGADHQ-HZPDHXFCSA-N 2 1 333.476 2.247 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1C ZINC001130190021 811283866 /nfs/dbraw/zinc/28/38/66/811283866.db2.gz VHVMQSNBQUHKSB-ZWKOTPCHSA-N 2 1 345.487 2.226 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000763332805 577719286 /nfs/dbraw/zinc/71/92/86/577719286.db2.gz GMMNVFNHOMWGOR-SJLPKXTDSA-N 2 1 347.503 2.167 20 10 EECDMP Cc1ccc(O)c(C[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c1 ZINC001272622797 1190936497 /nfs/dbraw/zinc/93/64/97/1190936497.db2.gz RMIIKCHRCVQQOX-HXUWFJFHSA-N 2 1 345.487 2.219 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C[C@H]1CCCC[C@@H]1O ZINC000779155009 1208530877 /nfs/dbraw/zinc/53/08/77/1208530877.db2.gz YBSKYTBTLITSCU-QUCCMNQESA-N 2 1 331.504 2.421 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1C ZINC000969099752 1221807515 /nfs/dbraw/zinc/80/75/15/1221807515.db2.gz SRHCMTFHKZVZMU-MSOLQXFVSA-N 2 1 345.487 2.178 20 10 EECDMP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccc(N2CCN(C)CC2)cc1F ZINC001276788849 1297699165 /nfs/dbraw/zinc/69/91/65/1297699165.db2.gz AHEDXFWFCAKUQE-JLYLLQBASA-N 3 1 346.494 2.292 20 10 EECDMP CC(C)C[N@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCCNC1 ZINC001236477829 1305586196 /nfs/dbraw/zinc/58/61/96/1305586196.db2.gz OTTYJDLNEILGCB-HXUWFJFHSA-N 2 1 330.520 2.306 20 10 EECDMP CC(C)C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@@H]1CCCNC1 ZINC001236477829 1305586200 /nfs/dbraw/zinc/58/62/00/1305586200.db2.gz OTTYJDLNEILGCB-HXUWFJFHSA-N 2 1 330.520 2.306 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@@H]1O ZINC001236930648 1305733812 /nfs/dbraw/zinc/73/38/12/1305733812.db2.gz DXMJUJAUCNRSMD-KXBFYZLASA-N 2 1 335.467 2.170 20 10 EECDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001116442758 1305885069 /nfs/dbraw/zinc/88/50/69/1305885069.db2.gz OTOJUQNOWAUNIY-OAQYLSRUSA-N 2 1 342.531 2.499 20 10 EECDMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)C1 ZINC001116442758 1305885079 /nfs/dbraw/zinc/88/50/79/1305885079.db2.gz OTOJUQNOWAUNIY-OAQYLSRUSA-N 2 1 342.531 2.499 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(CCOC4)C3)cc2F)CC1 ZINC001116444988 1305885411 /nfs/dbraw/zinc/88/54/11/1305885411.db2.gz KQJQHQGBVJEIHW-IBGZPJMESA-N 2 1 333.451 2.190 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CCOC4)C3)cc2F)CC1 ZINC001116444988 1305885413 /nfs/dbraw/zinc/88/54/13/1305885413.db2.gz KQJQHQGBVJEIHW-IBGZPJMESA-N 2 1 333.451 2.190 20 10 EECDMP CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116466350 1305888078 /nfs/dbraw/zinc/88/80/78/1305888078.db2.gz UJPPEUAOTKHRGT-APWZRJJASA-N 2 1 335.467 2.482 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@]1(C)CO ZINC001118667688 1308917977 /nfs/dbraw/zinc/91/79/77/1308917977.db2.gz FFIVEMNYKYFHSU-KXBFYZLASA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@]1(C)CO ZINC001118667688 1308917979 /nfs/dbraw/zinc/91/79/79/1308917979.db2.gz FFIVEMNYKYFHSU-KXBFYZLASA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@]1(C)CO ZINC001118667688 1308917983 /nfs/dbraw/zinc/91/79/83/1308917983.db2.gz FFIVEMNYKYFHSU-KXBFYZLASA-N 2 1 335.467 2.028 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000843121239 1315848149 /nfs/dbraw/zinc/84/81/49/1315848149.db2.gz HCRFHUXXMFFFKW-KRWDZBQOSA-N 2 1 334.483 2.151 20 10 EECDMP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCO1 ZINC001254051869 1317992703 /nfs/dbraw/zinc/99/27/03/1317992703.db2.gz GCOGVRWUAGYXBA-NVXWUHKLSA-N 2 1 335.467 2.482 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)c(OC)c1 ZINC001205672257 1323239615 /nfs/dbraw/zinc/23/96/15/1323239615.db2.gz HHUSHHZJIISAKF-IBGZPJMESA-N 2 1 335.492 2.217 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311934 1323452548 /nfs/dbraw/zinc/45/25/48/1323452548.db2.gz WZUGXSPNEDVNRJ-FQEVSTJZSA-N 3 1 330.520 2.389 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311934 1323452553 /nfs/dbraw/zinc/45/25/53/1323452553.db2.gz WZUGXSPNEDVNRJ-FQEVSTJZSA-N 2 1 330.520 2.389 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@](C)(C[NH3+])CC3)cc2)CC1 ZINC001206311934 1323452556 /nfs/dbraw/zinc/45/25/56/1323452556.db2.gz WZUGXSPNEDVNRJ-FQEVSTJZSA-N 2 1 330.520 2.389 20 10 EECDMP CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323275258 1333428706 /nfs/dbraw/zinc/42/87/06/1333428706.db2.gz SDUKVASGNVWEEU-DOTOQJQBSA-N 2 1 337.483 2.464 20 10 EECDMP COC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)CC1 ZINC001172734164 797073823 /nfs/dbraw/zinc/07/38/23/797073823.db2.gz LTWXOGCBESELGW-UHFFFAOYSA-N 2 1 347.459 2.177 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cc1C ZINC001022712311 678299301 /nfs/dbraw/zinc/29/93/01/678299301.db2.gz OVAPGRLCBTYWSR-NXHRZFHOSA-N 2 1 345.487 2.225 20 10 EECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(C)c1O ZINC001276080732 1205764217 /nfs/dbraw/zinc/76/42/17/1205764217.db2.gz SXWBVYQZFUNJLQ-AYHJJNSGSA-N 2 1 334.460 2.406 20 10 EECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C)c1O ZINC001276080732 1205764218 /nfs/dbraw/zinc/76/42/18/1205764218.db2.gz SXWBVYQZFUNJLQ-AYHJJNSGSA-N 2 1 334.460 2.406 20 10 EECDMP COC(=O)[C@H]1C[N@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CC[C@@H]1[NH3+] ZINC001236410033 1305572239 /nfs/dbraw/zinc/57/22/39/1305572239.db2.gz CGVXSFQYPNPQOF-OALUTQOASA-N 2 1 341.455 2.416 20 10 EECDMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CC[C@@H]1[NH3+] ZINC001236410033 1305572248 /nfs/dbraw/zinc/57/22/48/1305572248.db2.gz CGVXSFQYPNPQOF-OALUTQOASA-N 2 1 341.455 2.416 20 10 EECDMP CCOC[C@@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116445155 1305886603 /nfs/dbraw/zinc/88/66/03/1305886603.db2.gz OCNAEPHHZCYYEZ-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP CCOC[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116445155 1305886609 /nfs/dbraw/zinc/88/66/09/1305886609.db2.gz OCNAEPHHZCYYEZ-QGZVFWFLSA-N 2 1 335.467 2.436 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237404648 1305922191 /nfs/dbraw/zinc/92/21/91/1305922191.db2.gz OHKVMLOMIDZYKY-PZJWPPBQSA-N 3 1 342.531 2.402 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CC[C@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237404648 1305922192 /nfs/dbraw/zinc/92/21/92/1305922192.db2.gz OHKVMLOMIDZYKY-PZJWPPBQSA-N 2 1 342.531 2.402 20 10 EECDMP C[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1CO ZINC001118758751 1308939353 /nfs/dbraw/zinc/93/93/53/1308939353.db2.gz ZNXGHQNKSNCIHF-RDJZCZTQSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1CO ZINC001118758751 1308939354 /nfs/dbraw/zinc/93/93/54/1308939354.db2.gz ZNXGHQNKSNCIHF-RDJZCZTQSA-N 2 1 335.467 2.028 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)cc(C[NH+](C)C)c1O ZINC001139253129 1314721298 /nfs/dbraw/zinc/72/12/98/1314721298.db2.gz MYZCMLMDSBVFHO-IFXJQAMLSA-N 2 1 336.476 2.445 20 10 EECDMP COc1cc(CN2CC[C@H]([N@@H+](C)C3CC3)C2)cc(C[NH+](C)C)c1O ZINC001139259084 1314723029 /nfs/dbraw/zinc/72/30/29/1314723029.db2.gz HNUAPDYCUBWKNV-KRWDZBQOSA-N 2 1 333.476 2.131 20 10 EECDMP COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139412059 1314741660 /nfs/dbraw/zinc/74/16/60/1314741660.db2.gz BXTRKIGKYHLTMM-SJLPKXTDSA-N 2 1 345.487 2.069 20 10 EECDMP COc1c(O)c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843125369 1315849492 /nfs/dbraw/zinc/84/94/92/1315849492.db2.gz UDFAMVWJUNDHIW-OLZOCXBDSA-N 2 1 335.404 2.131 20 10 EECDMP COc1c(O)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843125369 1315849493 /nfs/dbraw/zinc/84/94/93/1315849493.db2.gz UDFAMVWJUNDHIW-OLZOCXBDSA-N 2 1 335.404 2.131 20 10 EECDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1O)C2 ZINC001276537405 1323998985 /nfs/dbraw/zinc/99/89/85/1323998985.db2.gz GPLOWRUQBUNRRE-LJQANCHMSA-N 2 1 335.467 2.381 20 10 EECDMP C[NH+](C)CCN1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001276537405 1323998991 /nfs/dbraw/zinc/99/89/91/1323998991.db2.gz GPLOWRUQBUNRRE-LJQANCHMSA-N 2 1 335.467 2.381 20 10 EECDMP CN1CCCc2cc(C[N@H+]3C[C@@H]4C[C@H]3CN(CC[NH+](C)C)C4)ccc21 ZINC001276580603 1324632457 /nfs/dbraw/zinc/63/24/57/1324632457.db2.gz MPOKOLYOQGENEC-QUCCMNQESA-N 2 1 342.531 2.137 20 10 EECDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001578498439 1344285589 /nfs/dbraw/zinc/28/55/89/1344285589.db2.gz JYAHVJHJIRBMTL-ZWKOTPCHSA-N 2 1 331.485 2.197 20 10 EECDMP CC[NH+](CC)CC(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089834550 777424490 /nfs/dbraw/zinc/42/44/90/777424490.db2.gz CVAVRKAHSGQSSR-UHFFFAOYSA-N 2 1 345.491 2.078 20 10 EECDMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940419 785087084 /nfs/dbraw/zinc/08/70/84/785087084.db2.gz GTLTXWOSPKMKER-ORAYPTAESA-N 2 1 327.476 2.265 20 10 EECDMP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001168996552 803562408 /nfs/dbraw/zinc/56/24/08/803562408.db2.gz VYTQENNRZOLOCS-YOEHRIQHSA-N 2 1 333.432 2.392 20 10 EECDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(OC)ccc1O ZINC000289519434 464082374 /nfs/dbraw/zinc/08/23/74/464082374.db2.gz VFTHCTFSFMPKDK-KRWDZBQOSA-N 2 1 335.492 2.249 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](n4ccnc4)C3)cc2)CC1 ZINC000775674443 577442412 /nfs/dbraw/zinc/44/24/12/577442412.db2.gz BGUSYVVCNUWOFS-FQEVSTJZSA-N 2 1 339.487 2.472 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1C ZINC001020586476 675218299 /nfs/dbraw/zinc/21/82/99/675218299.db2.gz OVAPGRLCBTYWSR-SZMVWBNQSA-N 2 1 345.487 2.225 20 10 EECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N(C)C)cc1 ZINC001275833203 1205556015 /nfs/dbraw/zinc/55/60/15/1205556015.db2.gz BRWHXMNGWDUEGR-CTXDPNEZSA-N 2 1 347.503 2.458 20 10 EECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC001275833203 1205556016 /nfs/dbraw/zinc/55/60/16/1205556016.db2.gz BRWHXMNGWDUEGR-CTXDPNEZSA-N 2 1 347.503 2.458 20 10 EECDMP CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000779217134 1209393772 /nfs/dbraw/zinc/39/37/72/1209393772.db2.gz MMBPKXWNRDUHMJ-HXUWFJFHSA-N 2 1 331.504 2.423 20 10 EECDMP CCCC[C@@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246177139 1310253938 /nfs/dbraw/zinc/25/39/38/1310253938.db2.gz ZGRDACIGISWNCP-RTBURBONSA-N 2 1 330.520 2.497 20 10 EECDMP COc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C[NH+](C)C)c1O ZINC001139259277 1314722996 /nfs/dbraw/zinc/72/29/96/1314722996.db2.gz PEHNTBUUTZIRSK-SJORKVTESA-N 2 1 333.476 2.131 20 10 EECDMP CCC[NH+]1C[C@H]2CN(Cc3ccc(N4CC[NH+](C)CC4)cc3)C[C@@H]2C1 ZINC001139410758 1314741013 /nfs/dbraw/zinc/74/10/13/1314741013.db2.gz CKMOYKFVTMADLM-PMACEKPBSA-N 2 1 342.531 2.212 20 10 EECDMP COC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139413173 1314741388 /nfs/dbraw/zinc/74/13/88/1314741388.db2.gz STIJWTAQHRMHAO-GOSISDBHSA-N 2 1 345.487 2.214 20 10 EECDMP CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841019670 1315456202 /nfs/dbraw/zinc/45/62/02/1315456202.db2.gz MZGKNBWMMPBJOT-INIZCTEOSA-N 2 1 333.476 2.192 20 10 EECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125760 1315849128 /nfs/dbraw/zinc/84/91/28/1315849128.db2.gz HKBCQFNHHQUEGU-MOPGFXCFSA-N 2 1 329.488 2.345 20 10 EECDMP Nc1nc(N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc[nH+]1 ZINC001155641085 1317685193 /nfs/dbraw/zinc/68/51/93/1317685193.db2.gz XBXDCWQPRDGIHN-BVIKNXMNSA-N 2 1 325.460 2.458 20 10 EECDMP Nc1nc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)cc[nH+]1 ZINC001155641085 1317685199 /nfs/dbraw/zinc/68/51/99/1317685199.db2.gz XBXDCWQPRDGIHN-BVIKNXMNSA-N 2 1 325.460 2.458 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)C[N@H+]2CCC(C)(C)C2)cc1C ZINC001166764411 1321784032 /nfs/dbraw/zinc/78/40/32/1321784032.db2.gz BDXCVKLYAAEMPF-UHFFFAOYSA-N 2 1 347.503 2.331 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206021694 1323371202 /nfs/dbraw/zinc/37/12/02/1323371202.db2.gz ATAORGPAMJQGMO-IRXDYDNUSA-N 3 1 348.510 2.384 20 10 EECDMP C[C@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206021694 1323371205 /nfs/dbraw/zinc/37/12/05/1323371205.db2.gz ATAORGPAMJQGMO-IRXDYDNUSA-N 2 1 348.510 2.384 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206021694 1323371213 /nfs/dbraw/zinc/37/12/13/1323371213.db2.gz ATAORGPAMJQGMO-IRXDYDNUSA-N 2 1 348.510 2.384 20 10 EECDMP [NH3+][C@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@@H]1F ZINC001206164966 1323409550 /nfs/dbraw/zinc/40/95/50/1323409550.db2.gz LSOZAYPLEQWXSD-IRXDYDNUSA-N 2 1 333.451 2.352 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC001308204577 1331572440 /nfs/dbraw/zinc/57/24/40/1331572440.db2.gz ACRRMGMCQRUGOM-PMACEKPBSA-N 2 1 328.504 2.155 20 10 EECDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C[N@@H+]1C ZINC001324159128 1333621316 /nfs/dbraw/zinc/62/13/16/1333621316.db2.gz MWDFTMCCJXMHHF-CVEARBPZSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)C[N@H+]1C ZINC001324159128 1333621318 /nfs/dbraw/zinc/62/13/18/1333621318.db2.gz MWDFTMCCJXMHHF-CVEARBPZSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H]1C[NH3+] ZINC001326201958 1334042381 /nfs/dbraw/zinc/04/23/81/1334042381.db2.gz YFWOXQSJEHJIRG-HNAYVOBHSA-N 2 1 334.483 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CCC[C@@H]3CCOC3)cc2F)CC1 ZINC001330534349 1334866020 /nfs/dbraw/zinc/86/60/20/1334866020.db2.gz YYRYMJNYDHZMDM-MRXNPFEDSA-N 2 1 335.467 2.484 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+](CCO)C3CCCC3)cc2F)CC1 ZINC001341508966 1337293972 /nfs/dbraw/zinc/29/39/72/1337293972.db2.gz WTFPLZNUYPWSIH-UHFFFAOYSA-N 2 1 335.467 2.314 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](CCO)C3CCCC3)cc2F)CC1 ZINC001341508966 1337293976 /nfs/dbraw/zinc/29/39/76/1337293976.db2.gz WTFPLZNUYPWSIH-UHFFFAOYSA-N 2 1 335.467 2.314 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1C ZINC001176857747 798624297 /nfs/dbraw/zinc/62/42/97/798624297.db2.gz ZZBIYFOMYYQJTJ-CALCHBBNSA-N 2 1 347.503 2.472 20 10 EECDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc2c(cc1O)CCCC2 ZINC000185341600 463804641 /nfs/dbraw/zinc/80/46/41/463804641.db2.gz MRNTXQKQRQPMBR-HNNXBMFYSA-N 2 1 345.487 2.086 20 10 EECDMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775634756 577441416 /nfs/dbraw/zinc/44/14/16/577441416.db2.gz WIGKOQUFDIDTGY-SFHVURJKSA-N 2 1 345.487 2.214 20 10 EECDMP C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3cc(O)ccc3O)C2)C1 ZINC001275418596 1205351434 /nfs/dbraw/zinc/35/14/34/1205351434.db2.gz HNMLLRAHDFPFEN-HXUWFJFHSA-N 2 1 347.503 2.337 20 10 EECDMP C[NH+](C)CCN1CC2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001275773041 1205520572 /nfs/dbraw/zinc/52/05/72/1205520572.db2.gz FXONCCBHGBDFMF-UHFFFAOYSA-N 2 1 339.430 2.130 20 10 EECDMP C[NH+](C)CCN1CC2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001275773041 1205520573 /nfs/dbraw/zinc/52/05/73/1205520573.db2.gz FXONCCBHGBDFMF-UHFFFAOYSA-N 2 1 339.430 2.130 20 10 EECDMP Oc1ccc(F)cc1C[NH+]1CCC2(C[NH+](Cc3cn[nH]c3)C2)CC1 ZINC001275909456 1205581262 /nfs/dbraw/zinc/58/12/62/1205581262.db2.gz ZLWFZCQBWUVMQO-UHFFFAOYSA-N 2 1 330.407 2.352 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1C ZINC001075108715 1257384945 /nfs/dbraw/zinc/38/49/45/1257384945.db2.gz FGICHGOXNKOGFK-JQHSSLGASA-N 2 1 345.487 2.034 20 10 EECDMP CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235824865 1305408537 /nfs/dbraw/zinc/40/85/37/1305408537.db2.gz CPIIOMSTGMTQFR-SFHVURJKSA-N 2 1 331.460 2.014 20 10 EECDMP CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235824865 1305408548 /nfs/dbraw/zinc/40/85/48/1305408548.db2.gz CPIIOMSTGMTQFR-SFHVURJKSA-N 2 1 331.460 2.014 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC4(C3)CCCOC4)c(F)c2)CC1 ZINC001236933942 1305735592 /nfs/dbraw/zinc/73/55/92/1305735592.db2.gz AXFKDSPJOZQLPP-UHFFFAOYSA-N 2 1 333.451 2.190 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CCCC[C@H]4C3)c(F)c2)CC1 ZINC001236940889 1305738799 /nfs/dbraw/zinc/73/87/99/1305738799.db2.gz VTCQAIPUNBQFKI-IBGZPJMESA-N 2 1 346.494 2.248 20 10 EECDMP C[N@@H+](C1CC1)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C1 ZINC001236943495 1305740524 /nfs/dbraw/zinc/74/05/24/1305740524.db2.gz SCWPBAMQMIXSEA-IBGZPJMESA-N 2 1 346.494 2.246 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3CCC[C@H]4C[N@@H+](C)C[C@@H]43)cc2)CC1 ZINC001140304658 1314861926 /nfs/dbraw/zinc/86/19/26/1314861926.db2.gz XPXNSGWTBJECOQ-FPOVZHCZSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4CN(C)C[C@@H]43)cc2)CC1 ZINC001140304658 1314861927 /nfs/dbraw/zinc/86/19/27/1314861927.db2.gz XPXNSGWTBJECOQ-FPOVZHCZSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4CN(C)C[C@@H]43)cc2)CC1 ZINC001140304658 1314861932 /nfs/dbraw/zinc/86/19/32/1314861932.db2.gz XPXNSGWTBJECOQ-FPOVZHCZSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CCCN(C)[C@@H]4C3)cc2)CC1 ZINC001140309723 1314865313 /nfs/dbraw/zinc/86/53/13/1314865313.db2.gz RWDPPJVTLQDYBR-TZIWHRDSSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[N@H+](C)[C@@H]4C3)cc2)CC1 ZINC001140309723 1314865318 /nfs/dbraw/zinc/86/53/18/1314865318.db2.gz RWDPPJVTLQDYBR-TZIWHRDSSA-N 2 1 342.531 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(CN3C[C@H]4CCC[N@@H+](C)[C@@H]4C3)cc2)CC1 ZINC001140309723 1314865323 /nfs/dbraw/zinc/86/53/23/1314865323.db2.gz RWDPPJVTLQDYBR-TZIWHRDSSA-N 2 1 342.531 2.355 20 10 EECDMP Fc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843125228 1315849299 /nfs/dbraw/zinc/84/92/99/1315849299.db2.gz OLOKCSYHOUJGNZ-ZWKOTPCHSA-N 2 1 347.478 2.484 20 10 EECDMP COc1ccc(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c(O)c1 ZINC001203634612 1321929235 /nfs/dbraw/zinc/92/92/35/1321929235.db2.gz NOWUHPZJJXODTJ-UHFFFAOYSA-N 2 1 334.460 2.476 20 10 EECDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@](O)(C[NH3+])CC3)ccc2O1 ZINC001205256108 1322332784 /nfs/dbraw/zinc/33/27/84/1322332784.db2.gz NFXCRWPDKQMQFM-LJQANCHMSA-N 2 1 332.444 2.252 20 10 EECDMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326221826 1334046172 /nfs/dbraw/zinc/04/61/72/1334046172.db2.gz KENPOFIMTAFQQV-DOTOQJQBSA-N 2 1 334.483 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cc2F)CC1 ZINC001328413644 1334456330 /nfs/dbraw/zinc/45/63/30/1334456330.db2.gz UYCFZNJYFRBCEG-UHFFFAOYSA-N 3 1 346.494 2.153 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC4(C3)CCOCC4)cc2)CC1 ZINC000775735438 577444277 /nfs/dbraw/zinc/44/42/77/577444277.db2.gz UKTDDEDIBRJKPX-UHFFFAOYSA-N 2 1 329.488 2.441 20 10 EECDMP CCOCCO[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775738373 577444395 /nfs/dbraw/zinc/44/43/95/577444395.db2.gz CDGYGGKZPPSGBY-FQEVSTJZSA-N 2 1 347.503 2.066 20 10 EECDMP CN(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[NH+](C)C)cc1 ZINC000891249653 676244283 /nfs/dbraw/zinc/24/42/83/676244283.db2.gz VIBUHIQCMKQSIQ-OALUTQOASA-N 2 1 344.503 2.098 20 10 EECDMP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cc(F)cc(F)c1O ZINC000894760995 683079040 /nfs/dbraw/zinc/07/90/40/683079040.db2.gz LUFQZKBYQBLZFH-UHFFFAOYSA-N 2 1 329.435 2.376 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C ZINC000968728659 1221520228 /nfs/dbraw/zinc/52/02/28/1221520228.db2.gz UCWUXIVEJZNXSN-KBAYOESNSA-N 2 1 345.487 2.034 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001000926909 1241226770 /nfs/dbraw/zinc/22/67/70/1241226770.db2.gz KQZZYMGSJGZECK-ZWKOTPCHSA-N 2 1 345.487 2.036 20 10 EECDMP CCOC(=O)[C@@]12C[N@@H+](Cc3c(C)cc(C)cc3O)C[C@@H]1C[NH2+]CCC2 ZINC001222136315 1299379891 /nfs/dbraw/zinc/37/98/91/1299379891.db2.gz QSIZYUWJOGQINH-JXFKEZNVSA-N 2 1 346.471 2.374 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231882189 1303936862 /nfs/dbraw/zinc/93/68/62/1303936862.db2.gz FRSNRZJPJGZQBY-QGZVFWFLSA-N 2 1 341.455 2.188 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC001231882189 1303936865 /nfs/dbraw/zinc/93/68/65/1303936865.db2.gz FRSNRZJPJGZQBY-QGZVFWFLSA-N 2 1 341.455 2.188 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236837788 1305694909 /nfs/dbraw/zinc/69/49/09/1305694909.db2.gz UQKMOCOMVIYOGP-GOSISDBHSA-N 2 1 341.455 2.188 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236837788 1305694920 /nfs/dbraw/zinc/69/49/20/1305694920.db2.gz UQKMOCOMVIYOGP-GOSISDBHSA-N 2 1 341.455 2.188 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@]1(C)O ZINC001236931368 1305733705 /nfs/dbraw/zinc/73/37/05/1305733705.db2.gz JZNQWVIBOMRUKN-BEFAXECRSA-N 2 1 335.467 2.170 20 10 EECDMP CC(C)(C)[C@@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176386 1310254164 /nfs/dbraw/zinc/25/41/64/1310254164.db2.gz XIRAOVAHXXTWEY-HKUYNNGSSA-N 2 1 330.520 2.353 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4c(cc[nH]c4=O)C3)cc2)CC1 ZINC001139410821 1314740579 /nfs/dbraw/zinc/74/05/79/1314740579.db2.gz HEPOWSVKPYRVLG-UHFFFAOYSA-N 2 1 338.455 2.097 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)[C@H](C)C3)cc2)CC1 ZINC001140302508 1314861206 /nfs/dbraw/zinc/86/12/06/1314861206.db2.gz SOXIDFLKWNEFOH-YLJYHZDGSA-N 2 1 331.504 2.421 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843121736 1315848125 /nfs/dbraw/zinc/84/81/25/1315848125.db2.gz JITBRHWCEGYXMD-LJQANCHMSA-N 2 1 346.519 2.352 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124795 1315848734 /nfs/dbraw/zinc/84/87/34/1315848734.db2.gz GUKUPZZCFQMJPS-PMACEKPBSA-N 3 1 342.531 2.260 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124795 1315848739 /nfs/dbraw/zinc/84/87/39/1315848739.db2.gz GUKUPZZCFQMJPS-PMACEKPBSA-N 2 1 342.531 2.260 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124795 1315848744 /nfs/dbraw/zinc/84/87/44/1315848744.db2.gz GUKUPZZCFQMJPS-PMACEKPBSA-N 2 1 342.531 2.260 20 10 EECDMP CCN(Cc1ccccc1O)c1nc(N2CCC([NH3+])CC2)cc[nH+]1 ZINC001154889392 1317371974 /nfs/dbraw/zinc/37/19/74/1317371974.db2.gz YMWPTKIVGPGGPX-UHFFFAOYSA-N 2 1 327.432 2.136 20 10 EECDMP CN1CCN(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2F)CC1 ZINC001251727245 1317494226 /nfs/dbraw/zinc/49/42/26/1317494226.db2.gz QEKVVQDOSPNONO-MSOLQXFVSA-N 3 1 346.494 2.294 20 10 EECDMP CN(C)c1ccc(CN(C)c2nc(N3CCC([NH3+])CC3)cc[nH+]2)cc1 ZINC001156920985 1318288873 /nfs/dbraw/zinc/28/88/73/1318288873.db2.gz NMMJLDAITPLSPH-UHFFFAOYSA-N 2 1 340.475 2.107 20 10 EECDMP C[N@H+]1CC[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)C1 ZINC001255420154 1318398208 /nfs/dbraw/zinc/39/82/08/1318398208.db2.gz KTPOVAPOFRMOQI-UPRAQXHNSA-N 2 1 327.428 2.133 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+](C)CCCn3ccnc3)cc2F)CC1 ZINC001323806211 1333543401 /nfs/dbraw/zinc/54/34/01/1333543401.db2.gz GEBXTAZTDJFRPH-UHFFFAOYSA-N 2 1 345.466 2.296 20 10 EECDMP C[N@H+](CCCn1ccnc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323806211 1333543406 /nfs/dbraw/zinc/54/34/06/1333543406.db2.gz GEBXTAZTDJFRPH-UHFFFAOYSA-N 2 1 345.466 2.296 20 10 EECDMP C[N@@H+](CCCn1ccnc1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323806211 1333543407 /nfs/dbraw/zinc/54/34/07/1333543407.db2.gz GEBXTAZTDJFRPH-UHFFFAOYSA-N 2 1 345.466 2.296 20 10 EECDMP C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001328792092 1334522233 /nfs/dbraw/zinc/52/22/33/1334522233.db2.gz MHTVNIAOPJNYEX-WBVHZDCISA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328792092 1334522235 /nfs/dbraw/zinc/52/22/35/1334522235.db2.gz MHTVNIAOPJNYEX-WBVHZDCISA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001328792092 1334522240 /nfs/dbraw/zinc/52/22/40/1334522240.db2.gz MHTVNIAOPJNYEX-WBVHZDCISA-N 2 1 335.467 2.028 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cc2F)CC1 ZINC001331418961 1335010684 /nfs/dbraw/zinc/01/06/84/1335010684.db2.gz MOXHDCYBIGGOSY-AEFFLSMTSA-N 3 1 334.483 2.185 20 10 EECDMP CN(Cc1ccc(N2CCN(C)CC2)c(F)c1)C[C@@H]1CCC[N@H+]1C ZINC001345229007 1337431806 /nfs/dbraw/zinc/43/18/06/1337431806.db2.gz KNFDPJVJCPCWGD-KRWDZBQOSA-N 2 1 334.483 2.104 20 10 EECDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[N@@H+]1C ZINC001345229007 1337431809 /nfs/dbraw/zinc/43/18/09/1337431809.db2.gz KNFDPJVJCPCWGD-KRWDZBQOSA-N 2 1 334.483 2.104 20 10 EECDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[N@H+]1C ZINC001345229007 1337431812 /nfs/dbraw/zinc/43/18/12/1337431812.db2.gz KNFDPJVJCPCWGD-KRWDZBQOSA-N 2 1 334.483 2.104 20 10 EECDMP CCc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000848890704 1338794713 /nfs/dbraw/zinc/79/47/13/1338794713.db2.gz UDUKJSDYECDTEN-APWZRJJASA-N 2 1 331.504 2.412 20 10 EECDMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C ZINC000999831872 795032474 /nfs/dbraw/zinc/03/24/74/795032474.db2.gz NBLRXMUEVDKFAD-WWDZGPRUSA-N 2 1 345.487 2.034 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000775714148 577443531 /nfs/dbraw/zinc/44/35/31/577443531.db2.gz MWFHMXRWRDQNQU-FQEVSTJZSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cc2)CC1 ZINC000775714148 577443532 /nfs/dbraw/zinc/44/35/32/577443532.db2.gz MWFHMXRWRDQNQU-FQEVSTJZSA-N 2 1 342.531 2.356 20 10 EECDMP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)[NH+](C)C)cc1 ZINC000891249656 676244269 /nfs/dbraw/zinc/24/42/69/676244269.db2.gz VIBUHIQCMKQSIQ-RBUKOAKNSA-N 2 1 344.503 2.098 20 10 EECDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255989 676251953 /nfs/dbraw/zinc/25/19/53/676251953.db2.gz UPZKILPYJMPZHP-RTBURBONSA-N 2 1 346.519 2.346 20 10 EECDMP CC[N@@H+](C)C1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC1 ZINC001236944111 1305739509 /nfs/dbraw/zinc/73/95/09/1305739509.db2.gz CAIMLKCLZKCUNL-UHFFFAOYSA-N 2 1 348.510 2.494 20 10 EECDMP COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC001139411426 1314740997 /nfs/dbraw/zinc/74/09/97/1314740997.db2.gz LECQGQIOSQJSAH-SFHVURJKSA-N 2 1 345.487 2.214 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](O)[C@H](C)C3)cc2)CC1 ZINC001140302500 1314861443 /nfs/dbraw/zinc/86/14/43/1314861443.db2.gz SJSIJYIYIXGQLI-XLIONFOSSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)[C@@H](C)C3)cc2)CC1 ZINC001140302504 1314861658 /nfs/dbraw/zinc/86/16/58/1314861658.db2.gz SOXIDFLKWNEFOH-FXAWDEMLSA-N 2 1 331.504 2.421 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](C)(CO)C3)cc2F)CC1 ZINC001319823198 1332776895 /nfs/dbraw/zinc/77/68/95/1332776895.db2.gz JTWSXBUNWRIPCQ-LJQANCHMSA-N 2 1 335.467 2.172 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(CO)C3)cc2F)CC1 ZINC001319823198 1332776899 /nfs/dbraw/zinc/77/68/99/1332776899.db2.gz JTWSXBUNWRIPCQ-LJQANCHMSA-N 2 1 335.467 2.172 20 10 EECDMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cn1ccnc1 ZINC001321649630 1333138140 /nfs/dbraw/zinc/13/81/40/1333138140.db2.gz ABVOWQBSDUCVFI-MRXNPFEDSA-N 2 1 345.466 2.200 20 10 EECDMP CN(C)CC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001322569016 1333285335 /nfs/dbraw/zinc/28/53/35/1333285335.db2.gz AXURVBBIWXUDPL-UHFFFAOYSA-N 2 1 334.483 2.151 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@@H]43)cc2)CC1 ZINC000809767572 783339787 /nfs/dbraw/zinc/33/97/87/783339787.db2.gz ONCAQXZWFDZUSO-FPOVZHCZSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@@H]43)cc2)CC1 ZINC000809767572 783339795 /nfs/dbraw/zinc/33/97/95/783339795.db2.gz ONCAQXZWFDZUSO-FPOVZHCZSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)cc2)CC1 ZINC000809767572 783339803 /nfs/dbraw/zinc/33/98/03/783339803.db2.gz ONCAQXZWFDZUSO-FPOVZHCZSA-N 3 1 342.531 2.355 20 10 EECDMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(N(C)C)cc1 ZINC000283614171 463944245 /nfs/dbraw/zinc/94/42/45/463944245.db2.gz RDXLSLGWSQUJFK-UHFFFAOYSA-N 2 1 346.519 2.127 20 10 EECDMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(N(C)C)cc1 ZINC000283614171 463944248 /nfs/dbraw/zinc/94/42/48/463944248.db2.gz RDXLSLGWSQUJFK-UHFFFAOYSA-N 2 1 346.519 2.127 20 10 EECDMP Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000877059357 1199856338 /nfs/dbraw/zinc/85/63/38/1199856338.db2.gz VSWPHHQKYMDZNV-FQEVSTJZSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000877059357 1199856340 /nfs/dbraw/zinc/85/63/40/1199856340.db2.gz VSWPHHQKYMDZNV-FQEVSTJZSA-N 2 1 326.440 2.427 20 10 EECDMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000854232164 1292680894 /nfs/dbraw/zinc/68/08/94/1292680894.db2.gz QNAZPUWAAKQZKT-AWEZNQCLSA-N 2 1 341.459 2.482 20 10 EECDMP COc1ccc2ccc(O)c(C[N@H+]3CCNC4(CC[NH2+]CC4)C3)c2c1 ZINC001222099822 1299353381 /nfs/dbraw/zinc/35/33/81/1299353381.db2.gz MEKPPSMZJAAYDC-UHFFFAOYSA-N 2 1 341.455 2.081 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+](C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236598162 1305607008 /nfs/dbraw/zinc/60/70/08/1305607008.db2.gz HNZOUVIXKHTYPI-SFHVURJKSA-N 3 1 328.504 2.060 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCO[C@H]4C3)c(F)c2)CC1 ZINC001236933963 1305735654 /nfs/dbraw/zinc/73/56/54/1305735654.db2.gz AZSUUCNZGFJXNU-BEFAXECRSA-N 2 1 333.451 2.188 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)C3CCCC3)cc2F)CC1 ZINC001117631286 1306134719 /nfs/dbraw/zinc/13/47/19/1306134719.db2.gz OTZFKFVALHANCJ-GOSISDBHSA-N 2 1 335.467 2.218 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@]1(C)CO ZINC001118667686 1308917919 /nfs/dbraw/zinc/91/79/19/1308917919.db2.gz FFIVEMNYKYFHSU-DNVCBOLYSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@]1(C)CO ZINC001118667686 1308917922 /nfs/dbraw/zinc/91/79/22/1308917922.db2.gz FFIVEMNYKYFHSU-DNVCBOLYSA-N 2 1 335.467 2.028 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@]1(C)CO ZINC001118667686 1308917926 /nfs/dbraw/zinc/91/79/26/1308917926.db2.gz FFIVEMNYKYFHSU-DNVCBOLYSA-N 2 1 335.467 2.028 20 10 EECDMP COc1ccc(O)c(C[NH+]2CCC([NH+]3CCC(OC)CC3)CC2)c1 ZINC001203681442 1321939750 /nfs/dbraw/zinc/93/97/50/1321939750.db2.gz XMNOIHNQRVYYHD-UHFFFAOYSA-N 2 1 334.460 2.476 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCC[C@@H]1C[NH3+] ZINC001206003699 1323367508 /nfs/dbraw/zinc/36/75/08/1323367508.db2.gz LKMQFLVPYLWBAT-FUHWJXTLSA-N 2 1 331.504 2.455 20 10 EECDMP [NH3+][C@@H]1CC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC[C@H]1F ZINC001206164961 1323409525 /nfs/dbraw/zinc/40/95/25/1323409525.db2.gz LSOZAYPLEQWXSD-IAGOWNOFSA-N 2 1 333.451 2.352 20 10 EECDMP [NH3+]C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCC1 ZINC001580137439 1344480043 /nfs/dbraw/zinc/48/00/43/1344480043.db2.gz LGCNSEYFELWTMG-CQSZACIVSA-N 2 1 337.851 2.008 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC(CO)CC1 ZINC000809765822 783369666 /nfs/dbraw/zinc/36/96/66/783369666.db2.gz QVPIIGUYIHHFEX-UHFFFAOYSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c(O)cccc3OC)CC2)CC1 ZINC000817414115 784766442 /nfs/dbraw/zinc/76/64/42/784766442.db2.gz SDQRABJBHCJEDN-UHFFFAOYSA-N 2 1 347.503 2.393 20 10 EECDMP COC(=O)[C@H](C)[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000792188285 809643964 /nfs/dbraw/zinc/64/39/64/809643964.db2.gz VFCBRQCVWRMORU-INIZCTEOSA-N 2 1 345.487 2.354 20 10 EECDMP COC(=O)[C@H](C)[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000792188285 809643968 /nfs/dbraw/zinc/64/39/68/809643968.db2.gz VFCBRQCVWRMORU-INIZCTEOSA-N 2 1 345.487 2.354 20 10 EECDMP CCOc1ccc(O)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289466108 464080646 /nfs/dbraw/zinc/08/06/46/464080646.db2.gz OWSKZPBKGWJJDG-UHFFFAOYSA-N 2 1 335.492 2.249 20 10 EECDMP CCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c(O)c1 ZINC000093133197 528664726 /nfs/dbraw/zinc/66/47/26/528664726.db2.gz OWFLVLZSLSMGNK-GOSISDBHSA-N 2 1 347.503 2.393 20 10 EECDMP Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)ccc1N(C)C ZINC001275360818 1205320565 /nfs/dbraw/zinc/32/05/65/1205320565.db2.gz KLHDKOOSJMBOGN-KDURUIRLSA-N 2 1 330.520 2.271 20 10 EECDMP Oc1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cn[nH]c4)C3)CC2)c(O)c1 ZINC001275952951 1205601427 /nfs/dbraw/zinc/60/14/27/1205601427.db2.gz PYYXHSSVFVYXNF-UHFFFAOYSA-N 2 1 342.443 2.309 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001275960267 1205603799 /nfs/dbraw/zinc/60/37/99/1205603799.db2.gz RYOWAOYTBQUONJ-BGYRXZFFSA-N 2 1 328.504 2.107 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCC2)cc1 ZINC001275960267 1205603800 /nfs/dbraw/zinc/60/38/00/1205603800.db2.gz RYOWAOYTBQUONJ-BGYRXZFFSA-N 2 1 328.504 2.107 20 10 EECDMP COCCOC[N@@H+]1CC[C@H]2C[NH+](Cc3ccc(C)cc3O)C[C@H]2CC1 ZINC001276168189 1205811142 /nfs/dbraw/zinc/81/11/42/1205811142.db2.gz CGRHBMTWSSYTNT-HDICACEKSA-N 2 1 348.487 2.465 20 10 EECDMP COCCOC[NH+]1CC[C@H]2C[N@@H+](Cc3ccc(C)cc3O)C[C@H]2CC1 ZINC001276168189 1205811144 /nfs/dbraw/zinc/81/11/44/1205811144.db2.gz CGRHBMTWSSYTNT-HDICACEKSA-N 2 1 348.487 2.465 20 10 EECDMP COCCOC[NH+]1CC[C@H]2C[N@H+](Cc3ccc(C)cc3O)C[C@H]2CC1 ZINC001276168189 1205811146 /nfs/dbraw/zinc/81/11/46/1205811146.db2.gz CGRHBMTWSSYTNT-HDICACEKSA-N 2 1 348.487 2.465 20 10 EECDMP COc1ccc(N(C)CC[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903768648 1241882804 /nfs/dbraw/zinc/88/28/04/1241882804.db2.gz OHUPJWOKRIZUCK-LJQANCHMSA-N 2 1 347.503 2.222 20 10 EECDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001187299236 1279499120 /nfs/dbraw/zinc/49/91/20/1279499120.db2.gz XAUJYOIUKPQLET-GOSISDBHSA-N 2 1 347.503 2.426 20 10 EECDMP OC1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237391071 1305916720 /nfs/dbraw/zinc/91/67/20/1305916720.db2.gz JYFQSNBXYQLYII-PXNSSMCTSA-N 2 1 329.488 2.222 20 10 EECDMP [NH3+][C@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1F ZINC001206199685 1323423742 /nfs/dbraw/zinc/42/37/42/1323423742.db2.gz OZELDFNGNOZCIG-SJORKVTESA-N 2 1 341.858 2.438 20 10 EECDMP [NH3+][C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1F ZINC001206199685 1323423748 /nfs/dbraw/zinc/42/37/48/1323423748.db2.gz OZELDFNGNOZCIG-SJORKVTESA-N 2 1 341.858 2.438 20 10 EECDMP COC[C@]1(C)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324378199 1333669542 /nfs/dbraw/zinc/66/95/42/1333669542.db2.gz LHNMJWKBPHOPRO-LJQANCHMSA-N 2 1 335.467 2.436 20 10 EECDMP COC[C@]1(C)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001324378199 1333669545 /nfs/dbraw/zinc/66/95/45/1333669545.db2.gz LHNMJWKBPHOPRO-LJQANCHMSA-N 2 1 335.467 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]4OCC[C@@H]4C3)cc2F)CC1 ZINC001327121442 1334227081 /nfs/dbraw/zinc/22/70/81/1334227081.db2.gz RSVPRBIHXSQANB-APWZRJJASA-N 2 1 333.451 2.188 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCC[C@@H]4C3)cc2F)CC1 ZINC001327121442 1334227083 /nfs/dbraw/zinc/22/70/83/1334227083.db2.gz RSVPRBIHXSQANB-APWZRJJASA-N 2 1 333.451 2.188 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](CO)CC3CC3)cc2F)CC1 ZINC001118484660 1371784328 /nfs/dbraw/zinc/78/43/28/1371784328.db2.gz RVBBYNVAGQNFJX-QGZVFWFLSA-N 2 1 335.467 2.076 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)cc2)CC1 ZINC000816641648 784164802 /nfs/dbraw/zinc/16/48/02/784164802.db2.gz ATYBUKYAHNMVHO-NRFANRHFSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)cc2)CC1 ZINC000816641648 784164804 /nfs/dbraw/zinc/16/48/04/784164804.db2.gz ATYBUKYAHNMVHO-NRFANRHFSA-N 3 1 342.531 2.356 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)cc2)CC1 ZINC000816641648 784164810 /nfs/dbraw/zinc/16/48/10/784164810.db2.gz ATYBUKYAHNMVHO-NRFANRHFSA-N 3 1 342.531 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](N)[C@@H](F)CC3)cc2)CC1 ZINC001206173747 797056256 /nfs/dbraw/zinc/05/62/56/797056256.db2.gz JVQGEQNUPHDGNA-OALUTQOASA-N 2 1 334.483 2.090 20 10 EECDMP Cc1cc(Br)c(O)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000787307913 807083974 /nfs/dbraw/zinc/08/39/74/807083974.db2.gz YSEJVPVKXVXJII-BETUJISGSA-N 2 1 325.250 2.457 20 10 EECDMP c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597458 237048085 /nfs/dbraw/zinc/04/80/85/237048085.db2.gz XARMCBSOAUHKQG-LJQANCHMSA-N 2 1 329.488 2.441 20 10 EECDMP CCOCc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1OC ZINC000282276019 464760245 /nfs/dbraw/zinc/76/02/45/464760245.db2.gz HVNYUYYRJKZMTG-UHFFFAOYSA-N 2 1 349.519 2.347 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374254138 467035015 /nfs/dbraw/zinc/03/50/15/467035015.db2.gz LBHQIOYJWUWOKZ-XLIONFOSSA-N 2 1 330.520 2.210 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4ncsc4C3)cc2)CC1 ZINC000783736086 1187127377 /nfs/dbraw/zinc/12/73/77/1187127377.db2.gz BVPIVTZLZYCQTI-UHFFFAOYSA-N 2 1 328.485 2.453 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCc4ncsc4C3)cc2)CC1 ZINC000783736086 1187127378 /nfs/dbraw/zinc/12/73/78/1187127378.db2.gz BVPIVTZLZYCQTI-UHFFFAOYSA-N 2 1 328.485 2.453 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)cc1C ZINC001074565190 1257072851 /nfs/dbraw/zinc/07/28/51/1257072851.db2.gz YFEPNXQSIWWQTJ-RYQLBKOJSA-N 2 1 345.487 2.177 20 10 EECDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)[C@H](C)C1 ZINC000850565836 1277268220 /nfs/dbraw/zinc/26/82/20/1277268220.db2.gz IDYUBUSBAKBMQG-UZLBHIALSA-N 2 1 331.504 2.468 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237680890 1306042551 /nfs/dbraw/zinc/04/25/51/1306042551.db2.gz MXNYURPTOOGNGD-OAHLLOKOSA-N 2 1 330.384 2.458 20 10 EECDMP CC[C@@H]1CC(NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@@H](CC)[NH2+]1 ZINC001246172200 1310252759 /nfs/dbraw/zinc/25/27/59/1310252759.db2.gz GMQPFMLNFMDVEM-QZTJIDSGSA-N 2 1 330.520 2.495 20 10 EECDMP CC(C)(C)[C@@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176390 1310253346 /nfs/dbraw/zinc/25/33/46/1310253346.db2.gz XIRAOVAHXXTWEY-MJGOQNOKSA-N 2 1 330.520 2.353 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](O)[C@@H](C)C3)cc2)CC1 ZINC001140302498 1314861020 /nfs/dbraw/zinc/86/10/20/1314861020.db2.gz SJSIJYIYIXGQLI-FXAWDEMLSA-N 2 1 331.504 2.421 20 10 EECDMP COc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)cc1Br ZINC001205151717 1322298646 /nfs/dbraw/zinc/29/86/46/1322298646.db2.gz ZQYKMUNMCCONEN-GXSJLCMTSA-N 2 1 329.238 2.190 20 10 EECDMP COc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c(O)cc1Br ZINC001205151717 1322298651 /nfs/dbraw/zinc/29/86/51/1322298651.db2.gz ZQYKMUNMCCONEN-GXSJLCMTSA-N 2 1 329.238 2.190 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CCC[C@H]1C[NH3+] ZINC001206003155 1323367152 /nfs/dbraw/zinc/36/71/52/1323367152.db2.gz FMKJYNQBEACAAP-CVEARBPZSA-N 2 1 335.467 2.469 20 10 EECDMP CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001332339215 1335805979 /nfs/dbraw/zinc/80/59/79/1335805979.db2.gz LLGPIXHUKLAUFB-QGZVFWFLSA-N 2 1 334.483 2.151 20 10 EECDMP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000816549639 784112030 /nfs/dbraw/zinc/11/20/30/784112030.db2.gz UPLVUOZUGRXSPP-ZDUSSCGKSA-N 2 1 341.858 2.443 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)cc1C ZINC001082449727 797535332 /nfs/dbraw/zinc/53/53/32/797535332.db2.gz GYYWXDDUQLCBBG-KBAYOESNSA-N 2 1 345.487 2.034 20 10 EECDMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043299 530058810 /nfs/dbraw/zinc/05/88/10/530058810.db2.gz NCUNLNFCWDHHLC-QUCCMNQESA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043299 530058811 /nfs/dbraw/zinc/05/88/11/530058811.db2.gz NCUNLNFCWDHHLC-QUCCMNQESA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043299 530058812 /nfs/dbraw/zinc/05/88/12/530058812.db2.gz NCUNLNFCWDHHLC-QUCCMNQESA-N 2 1 329.488 2.439 20 10 EECDMP COc1c(O)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278607405 463973186 /nfs/dbraw/zinc/97/31/86/463973186.db2.gz GCSKZCUMOQTPQX-UHFFFAOYSA-N 2 1 335.404 2.273 20 10 EECDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H](C)C1 ZINC000771844279 577233801 /nfs/dbraw/zinc/23/38/01/577233801.db2.gz YBUVGTFIKRAGBG-FXAWDEMLSA-N 3 1 330.520 2.258 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cc2)CC1 ZINC000775649924 577441768 /nfs/dbraw/zinc/44/17/68/577441768.db2.gz UWACQXQZPBRENV-SFHVURJKSA-N 2 1 329.488 2.439 20 10 EECDMP CC(C)OC[C@H]1C[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000770687190 577601804 /nfs/dbraw/zinc/60/18/04/577601804.db2.gz CVTIVRBJRAUJQO-HXUWFJFHSA-N 2 1 347.503 2.064 20 10 EECDMP CC(C)OC[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCO1 ZINC000770687190 577601805 /nfs/dbraw/zinc/60/18/05/577601805.db2.gz CVTIVRBJRAUJQO-HXUWFJFHSA-N 2 1 347.503 2.064 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1O ZINC000754740194 577811778 /nfs/dbraw/zinc/81/17/78/577811778.db2.gz KJQRRPIUCDEIFX-YESZJQIVSA-N 2 1 334.460 2.393 20 10 EECDMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1C ZINC000990275971 692802503 /nfs/dbraw/zinc/80/25/03/692802503.db2.gz GEVORUAJPFIOAD-SFHVURJKSA-N 2 1 345.487 2.178 20 10 EECDMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876779645 1199770889 /nfs/dbraw/zinc/77/08/89/1199770889.db2.gz ASTIEYBPMHUESO-SFHVURJKSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876779645 1199770894 /nfs/dbraw/zinc/77/08/94/1199770894.db2.gz ASTIEYBPMHUESO-SFHVURJKSA-N 2 1 331.504 2.421 20 10 EECDMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000876779645 1199770898 /nfs/dbraw/zinc/77/08/98/1199770898.db2.gz ASTIEYBPMHUESO-SFHVURJKSA-N 2 1 331.504 2.421 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000876934659 1199823416 /nfs/dbraw/zinc/82/34/16/1199823416.db2.gz HZUHUARKTJVYHH-UXHICEINSA-N 2 1 329.488 2.364 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000876934659 1199823419 /nfs/dbraw/zinc/82/34/19/1199823419.db2.gz HZUHUARKTJVYHH-UXHICEINSA-N 2 1 329.488 2.364 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@H]1O ZINC001236930647 1305734202 /nfs/dbraw/zinc/73/42/02/1305734202.db2.gz DXMJUJAUCNRSMD-HNAYVOBHSA-N 2 1 335.467 2.170 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)C3CCCC3)cc2F)CC1 ZINC001117631287 1306134505 /nfs/dbraw/zinc/13/45/05/1306134505.db2.gz OTZFKFVALHANCJ-SFHVURJKSA-N 2 1 335.467 2.218 20 10 EECDMP COC(=O)CC[N@H+](CCC[NH+](C)C)Cc1cc(F)cc(C)c1O ZINC001238062060 1306206507 /nfs/dbraw/zinc/20/65/07/1306206507.db2.gz TWDNQXXOKWXWBN-UHFFFAOYSA-N 2 1 326.412 2.157 20 10 EECDMP COC(=O)CC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(C)c1O ZINC001238062060 1306206508 /nfs/dbraw/zinc/20/65/08/1306206508.db2.gz TWDNQXXOKWXWBN-UHFFFAOYSA-N 2 1 326.412 2.157 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@]4(CCC(=O)O4)C3)cc2)CC1 ZINC001139411065 1314741074 /nfs/dbraw/zinc/74/10/74/1314741074.db2.gz SSMVTIPGHIGXHV-HXUWFJFHSA-N 2 1 343.471 2.110 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](C)(C(=O)OC)C3)cc2)CC1 ZINC001140309367 1314865148 /nfs/dbraw/zinc/86/51/48/1314865148.db2.gz CYUQZEYSBGIEIQ-FQEVSTJZSA-N 2 1 345.487 2.214 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COC[C@@H]43)cc2F)CC1 ZINC001324758516 1333753903 /nfs/dbraw/zinc/75/39/03/1333753903.db2.gz VSDWBMCMUAVBEH-APWZRJJASA-N 2 1 333.451 2.188 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4COC[C@@H]43)cc2F)CC1 ZINC001324758516 1333753907 /nfs/dbraw/zinc/75/39/07/1333753907.db2.gz VSDWBMCMUAVBEH-APWZRJJASA-N 2 1 333.451 2.188 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H](CO)CC3)cc2F)CC1 ZINC001325110549 1333830827 /nfs/dbraw/zinc/83/08/27/1333830827.db2.gz BRWJYPAKZYUGSG-JCNLHEQBSA-N 2 1 335.467 2.218 20 10 EECDMP CCC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676230 1334141528 /nfs/dbraw/zinc/14/15/28/1334141528.db2.gz PYGJJRWESMRIGL-MSOLQXFVSA-N 2 1 332.492 2.133 20 10 EECDMP CCCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(O)c1 ZINC000282194190 464729792 /nfs/dbraw/zinc/72/97/92/464729792.db2.gz CCZTUCRWHBUPHC-UHFFFAOYSA-N 2 1 335.492 2.297 20 10 EECDMP c1cc(N2CCOCC2)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597461 534472942 /nfs/dbraw/zinc/47/29/42/534472942.db2.gz XARMCBSOAUHKQG-IBGZPJMESA-N 2 1 329.488 2.441 20 10 EECDMP Oc1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)[C@H](O)CO2 ZINC000768448891 577555972 /nfs/dbraw/zinc/55/59/72/577555972.db2.gz YCYONKDUMLKYBL-MAUKXSAKSA-N 2 1 332.444 2.268 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)[C@H](O)CO2 ZINC000768448891 577555973 /nfs/dbraw/zinc/55/59/73/577555973.db2.gz YCYONKDUMLKYBL-MAUKXSAKSA-N 2 1 332.444 2.268 20 10 EECDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000762482920 577701960 /nfs/dbraw/zinc/70/19/60/577701960.db2.gz NIJCZOZPNNLFBR-GOSISDBHSA-N 2 1 347.503 2.114 20 10 EECDMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c1O ZINC001273049646 1194353090 /nfs/dbraw/zinc/35/30/90/1194353090.db2.gz YQVWIECRDJXJEC-QZTJIDSGSA-N 2 1 345.487 2.136 20 10 EECDMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Cn1cccn1 ZINC000873047713 1198484108 /nfs/dbraw/zinc/48/41/08/1198484108.db2.gz AKULOTBIYCHRGI-KRWDZBQOSA-N 2 1 328.460 2.371 20 10 EECDMP COc1cccc(C[N@H+]2CCC[C@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001275270166 1205295251 /nfs/dbraw/zinc/29/52/51/1205295251.db2.gz FYIJWFCZXFWERN-HXUWFJFHSA-N 2 1 347.503 2.250 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)cc1C ZINC001135102850 1278140463 /nfs/dbraw/zinc/14/04/63/1278140463.db2.gz PBMIKYMGXNQEEG-ZWKOTPCHSA-N 2 1 345.487 2.226 20 10 EECDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(OCc2ccccc2)cc1O ZINC000863650877 1296365519 /nfs/dbraw/zinc/36/55/19/1296365519.db2.gz DLTWZRWZWCSXAM-UHFFFAOYSA-N 2 1 330.428 2.378 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCC3OCCO3)cc2)CC1 ZINC001140306009 1314863005 /nfs/dbraw/zinc/86/30/05/1314863005.db2.gz KGIBAGGPJQNJKL-UHFFFAOYSA-N 2 1 333.476 2.023 20 10 EECDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)c(F)c3)C[C@@H]21 ZINC000843060242 1315832641 /nfs/dbraw/zinc/83/26/41/1315832641.db2.gz YYHMFBWVUUSZQV-SOLBZPMBSA-N 2 1 333.451 2.222 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2F)CC[C@@H]1C[NH3+] ZINC001205627416 1323220763 /nfs/dbraw/zinc/22/07/63/1323220763.db2.gz PKGGOISRAFHVLX-JKSUJKDBSA-N 2 1 335.467 2.469 20 10 EECDMP C[NH+]1CCN(c2ccc(CNCc3ccc(C[NH3+])cc3F)cc2)CC1 ZINC000844904779 789444045 /nfs/dbraw/zinc/44/40/45/789444045.db2.gz QOJRNVAQRIBFFZ-UHFFFAOYSA-N 2 1 342.462 2.326 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1C ZINC001127256601 794423484 /nfs/dbraw/zinc/42/34/84/794423484.db2.gz PCNVBJKCQFFPNK-ROUUACIJSA-N 2 1 345.487 2.084 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1C ZINC001130190019 811284442 /nfs/dbraw/zinc/28/44/42/811284442.db2.gz VHVMQSNBQUHKSB-ROUUACIJSA-N 2 1 345.487 2.226 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736284 577444216 /nfs/dbraw/zinc/44/42/16/577444216.db2.gz BKBBUJZUIMNAMC-OALUTQOASA-N 2 1 347.528 2.145 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C1)[C@@H](O)CO2 ZINC000768462931 577556297 /nfs/dbraw/zinc/55/62/97/577556297.db2.gz OXCJZSXEOMLWJD-IRWQIABSSA-N 2 1 344.455 2.267 20 10 EECDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C1)[C@@H](O)CO2 ZINC000768462931 577556298 /nfs/dbraw/zinc/55/62/98/577556298.db2.gz OXCJZSXEOMLWJD-IRWQIABSSA-N 2 1 344.455 2.267 20 10 EECDMP Oc1cc2c(cc1C[NH+]1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)[C@@H](O)CO2 ZINC000768462931 577556299 /nfs/dbraw/zinc/55/62/99/577556299.db2.gz OXCJZSXEOMLWJD-IRWQIABSSA-N 2 1 344.455 2.267 20 10 EECDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000763333055 577719351 /nfs/dbraw/zinc/71/93/51/577719351.db2.gz OPBMLKVAVJICKU-MJGOQNOKSA-N 2 1 331.504 2.467 20 10 EECDMP c1ccc2c(c1)CN[C@@H]1C[N@@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C[C@@H]21 ZINC001235221371 1305154158 /nfs/dbraw/zinc/15/41/58/1305154158.db2.gz PKRKDBZUOAGMGI-FCHUYYIVSA-N 2 1 348.494 2.167 20 10 EECDMP c1ccc2c(c1)CN[C@@H]1C[N@H+](Cc3ccc(N4CC[NH2+]CC4)cc3)C[C@@H]21 ZINC001235221371 1305154166 /nfs/dbraw/zinc/15/41/66/1305154166.db2.gz PKRKDBZUOAGMGI-FCHUYYIVSA-N 2 1 348.494 2.167 20 10 EECDMP Oc1cccc2c1C[N@@H+](Cc1cccc(CN3CC[NH2+]CC3)c1)CC2 ZINC001236072034 1305490747 /nfs/dbraw/zinc/49/07/47/1305490747.db2.gz CVZVOPAEGFYYRT-UHFFFAOYSA-N 2 1 337.467 2.356 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4OCC[C@@H]4C3)cc2)CC1 ZINC001140306767 1314863397 /nfs/dbraw/zinc/86/33/97/1314863397.db2.gz XAKRHGVGOAAGKM-UYAOXDASSA-N 2 1 329.488 2.439 20 10 EECDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC001206588963 1323539627 /nfs/dbraw/zinc/53/96/27/1323539627.db2.gz DUPDFABQEBQMDT-FQEVSTJZSA-N 3 1 330.520 2.449 20 10 EECDMP COCC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CCC1 ZINC001322653007 1333301581 /nfs/dbraw/zinc/30/15/81/1333301581.db2.gz SIDPLRKZVVKXNU-UHFFFAOYSA-N 2 1 335.467 2.484 20 10 EECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H]1CCCOC1 ZINC001323583754 1333492658 /nfs/dbraw/zinc/49/26/58/1333492658.db2.gz VKDXCTGGTFJSBO-WBVHZDCISA-N 2 1 335.467 2.482 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@@H]4COC[C@@H]43)cc2F)CC1 ZINC001324676485 1333736742 /nfs/dbraw/zinc/73/67/42/1333736742.db2.gz KSYQPSWQGAGTHX-APWZRJJASA-N 2 1 347.478 2.434 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)[C@@H]4COC[C@@H]43)cc2F)CC1 ZINC001324676485 1333736744 /nfs/dbraw/zinc/73/67/44/1333736744.db2.gz KSYQPSWQGAGTHX-APWZRJJASA-N 2 1 347.478 2.434 20 10 EECDMP C[NH+]1CCN(c2ccc(CNC(C)(C)C[NH+]3CCCC3)cc2)CC1 ZINC000825325823 788571413 /nfs/dbraw/zinc/57/14/13/788571413.db2.gz HBXDVEVIAZLLOO-UHFFFAOYSA-N 2 1 330.520 2.402 20 10 EECDMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273600547 464721172 /nfs/dbraw/zinc/72/11/72/464721172.db2.gz RTTZTBHJTAWQPF-HIFRSBDPSA-N 2 1 338.448 2.186 20 10 EECDMP COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776001043 577450424 /nfs/dbraw/zinc/45/04/24/577450424.db2.gz OJNNLPYAFPGMQU-APWZRJJASA-N 2 1 345.487 2.212 20 10 EECDMP COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000776001043 577450425 /nfs/dbraw/zinc/45/04/25/577450425.db2.gz OJNNLPYAFPGMQU-APWZRJJASA-N 2 1 345.487 2.212 20 10 EECDMP Cc1ccc(O)c([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000756563025 577846919 /nfs/dbraw/zinc/84/69/19/577846919.db2.gz MDRCWSQPAKPEHA-HNNXBMFYSA-N 2 1 333.476 2.294 20 10 EECDMP C[NH+](C)CCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619499 1190933840 /nfs/dbraw/zinc/93/38/40/1190933840.db2.gz WLXOOGAEFKTXEK-FQEVSTJZSA-N 2 1 345.487 2.158 20 10 EECDMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1O ZINC000794806295 1198049883 /nfs/dbraw/zinc/04/98/83/1198049883.db2.gz HCDOEKCECKOWNW-DOTOQJQBSA-N 2 1 333.476 2.329 20 10 EECDMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877546877 1199962590 /nfs/dbraw/zinc/96/25/90/1199962590.db2.gz XRXGFTPMKONCIY-HXUWFJFHSA-N 2 1 329.488 2.175 20 10 EECDMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877546877 1199962593 /nfs/dbraw/zinc/96/25/93/1199962593.db2.gz XRXGFTPMKONCIY-HXUWFJFHSA-N 2 1 329.488 2.175 20 10 EECDMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C2)C1 ZINC000877546877 1199962596 /nfs/dbraw/zinc/96/25/96/1199962596.db2.gz XRXGFTPMKONCIY-HXUWFJFHSA-N 2 1 329.488 2.175 20 10 EECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ccc1O ZINC001275311914 1205306082 /nfs/dbraw/zinc/30/60/82/1205306082.db2.gz UNIPAXXGKUKNAC-AYHJJNSGSA-N 2 1 334.460 2.406 20 10 EECDMP COCCOC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)ccc1O ZINC001275311914 1205306084 /nfs/dbraw/zinc/30/60/84/1205306084.db2.gz UNIPAXXGKUKNAC-AYHJJNSGSA-N 2 1 334.460 2.406 20 10 EECDMP COc1cc(C)c(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)c(O)c1 ZINC001276806341 1298080836 /nfs/dbraw/zinc/08/08/36/1298080836.db2.gz MWHNHRULSTXEEU-UHFFFAOYSA-N 2 1 347.503 2.169 20 10 EECDMP COC(=O)c1c(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c2ccccc2n1C ZINC001232400935 1304107522 /nfs/dbraw/zinc/10/75/22/1304107522.db2.gz MZOFAEQPAWWOMO-CABCVRRESA-N 2 1 341.455 2.348 20 10 EECDMP COC(=O)c1c(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c2ccccc2n1C ZINC001232400935 1304107525 /nfs/dbraw/zinc/10/75/25/1304107525.db2.gz MZOFAEQPAWWOMO-CABCVRRESA-N 2 1 341.455 2.348 20 10 EECDMP COC(=O)c1c(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c2ccccc2n1C ZINC001232400935 1304107529 /nfs/dbraw/zinc/10/75/29/1304107529.db2.gz MZOFAEQPAWWOMO-CABCVRRESA-N 2 1 341.455 2.348 20 10 EECDMP C[C@@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@H](C)[N@@H+]1C ZINC001236938795 1305739452 /nfs/dbraw/zinc/73/94/52/1305739452.db2.gz NNKNMDQYERDIJW-IYBDPMFKSA-N 2 1 334.483 2.102 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCNC4=CCCC[C@H]43)cc2)CC1 ZINC001237226831 1305857464 /nfs/dbraw/zinc/85/74/64/1305857464.db2.gz ZKHDHCGHHYZORG-HXUWFJFHSA-N 2 1 326.488 2.280 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[NH2+]C4=CCCC[C@H]43)cc2)CC1 ZINC001237226831 1305857473 /nfs/dbraw/zinc/85/74/73/1305857473.db2.gz ZKHDHCGHHYZORG-HXUWFJFHSA-N 2 1 326.488 2.280 20 10 EECDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC001118139279 1306290917 /nfs/dbraw/zinc/29/09/17/1306290917.db2.gz GOTQNDRTGATFPB-LJQANCHMSA-N 2 1 340.471 2.001 20 10 EECDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC001118139279 1306290920 /nfs/dbraw/zinc/29/09/20/1306290920.db2.gz GOTQNDRTGATFPB-LJQANCHMSA-N 2 1 340.471 2.001 20 10 EECDMP c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843125763 1315849024 /nfs/dbraw/zinc/84/90/24/1315849024.db2.gz HKBCQFNHHQUEGU-RTBURBONSA-N 2 1 329.488 2.345 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001204735212 1322216834 /nfs/dbraw/zinc/21/68/34/1322216834.db2.gz OLVIZTFFFSNMRL-UHFFFAOYSA-N 3 1 328.504 2.062 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](N)[C@H](F)CC3)cc2)CC1 ZINC001206173750 1323413881 /nfs/dbraw/zinc/41/38/81/1323413881.db2.gz JVQGEQNUPHDGNA-RTBURBONSA-N 2 1 334.483 2.090 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)c(F)c2)CC1 ZINC001206640331 1323552841 /nfs/dbraw/zinc/55/28/41/1323552841.db2.gz IUKOGADDPPMHCW-INIZCTEOSA-N 3 1 334.483 2.138 20 10 EECDMP C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000777219984 577475241 /nfs/dbraw/zinc/47/52/41/577475241.db2.gz OMUWPADDZLLRAF-INIZCTEOSA-N 2 1 346.519 2.173 20 10 EECDMP Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275267632 1205294693 /nfs/dbraw/zinc/29/46/93/1205294693.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 3 1 340.471 2.433 20 10 EECDMP Oc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275267632 1205294696 /nfs/dbraw/zinc/29/46/96/1205294696.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 3 1 340.471 2.433 20 10 EECDMP Oc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001275267632 1205294697 /nfs/dbraw/zinc/29/46/97/1205294697.db2.gz URJAFNJNZBIKHX-HDICACEKSA-N 3 1 340.471 2.433 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CC[C@@]1(C)O ZINC001236931373 1305734554 /nfs/dbraw/zinc/73/45/54/1305734554.db2.gz JZNQWVIBOMRUKN-DNVCBOLYSA-N 2 1 335.467 2.170 20 10 EECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@@]1(C)O ZINC001139409107 1314741041 /nfs/dbraw/zinc/74/10/41/1314741041.db2.gz WRRVXWIBSCWVSO-FXAWDEMLSA-N 2 1 331.504 2.421 20 10 EECDMP COc1c(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843125368 1315849133 /nfs/dbraw/zinc/84/91/33/1315849133.db2.gz UDFAMVWJUNDHIW-CHWSQXEVSA-N 2 1 335.404 2.131 20 10 EECDMP COc1c(O)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000843125368 1315849134 /nfs/dbraw/zinc/84/91/34/1315849134.db2.gz UDFAMVWJUNDHIW-CHWSQXEVSA-N 2 1 335.404 2.131 20 10 EECDMP COC(=O)Cc1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(O)c1 ZINC001249207871 1317022996 /nfs/dbraw/zinc/02/29/96/1317022996.db2.gz LAZNUMLORORNGP-UHFFFAOYSA-N 2 1 332.444 2.025 20 10 EECDMP COC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203560895 1321912336 /nfs/dbraw/zinc/91/23/36/1321912336.db2.gz JVTOXGCATFTQSZ-MRXNPFEDSA-N 2 1 332.444 2.242 20 10 EECDMP COC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203560895 1321912337 /nfs/dbraw/zinc/91/23/37/1321912337.db2.gz JVTOXGCATFTQSZ-MRXNPFEDSA-N 2 1 332.444 2.242 20 10 EECDMP COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320709489 1332938605 /nfs/dbraw/zinc/93/86/05/1332938605.db2.gz UDYVWAIAWYHERO-NVXWUHKLSA-N 2 1 349.450 2.009 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](CCCO)C3)cc2F)CC1 ZINC001324438449 1333683008 /nfs/dbraw/zinc/68/30/08/1333683008.db2.gz LJCHWDDXYNAYEX-MRXNPFEDSA-N 2 1 335.467 2.172 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H](CCCO)C3)cc2F)CC1 ZINC001324438449 1333683012 /nfs/dbraw/zinc/68/30/12/1333683012.db2.gz LJCHWDDXYNAYEX-MRXNPFEDSA-N 2 1 335.467 2.172 20 10 EECDMP COC(=O)[C@H](C)C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000780893438 1371173394 /nfs/dbraw/zinc/17/33/94/1371173394.db2.gz PXXPBWHAJRCELN-MRXNPFEDSA-N 2 1 345.487 2.212 20 10 EECDMP CCOC(=O)CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000775662157 577442079 /nfs/dbraw/zinc/44/20/79/577442079.db2.gz AXQXDSAIRGCYHE-UHFFFAOYSA-N 2 1 345.487 2.356 20 10 EECDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000891248524 676242858 /nfs/dbraw/zinc/24/28/58/676242858.db2.gz XZMRMUZWNVAHEM-OTWHNJEPSA-N 2 1 346.519 2.202 20 10 EECDMP Cc1cc(O)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000825773398 1199183879 /nfs/dbraw/zinc/18/38/79/1199183879.db2.gz FWLICTKPJKBHBR-UHFFFAOYSA-N 2 1 325.884 2.470 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1C ZINC001019383151 1229054252 /nfs/dbraw/zinc/05/42/52/1229054252.db2.gz XOJCFUBKSRPLBF-QAPCUYQASA-N 2 1 345.487 2.036 20 10 EECDMP COc1cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)cc(C[NH+](C)C)c1O ZINC001276860305 1299965284 /nfs/dbraw/zinc/96/52/84/1299965284.db2.gz HHEUTLNHCNXXCM-HXUWFJFHSA-N 2 1 347.503 2.380 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)CC1CC[NH+](C)CC1 ZINC001236934250 1305736829 /nfs/dbraw/zinc/73/68/29/1305736829.db2.gz CYPRNAYOVOWGDI-UHFFFAOYSA-N 2 1 348.510 2.351 20 10 EECDMP CN1CCN(c2ccc(C[N@H+](C)CC3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001236934250 1305736833 /nfs/dbraw/zinc/73/68/33/1305736833.db2.gz CYPRNAYOVOWGDI-UHFFFAOYSA-N 2 1 348.510 2.351 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+](C)CC3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001236934250 1305736837 /nfs/dbraw/zinc/73/68/37/1305736837.db2.gz CYPRNAYOVOWGDI-UHFFFAOYSA-N 2 1 348.510 2.351 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3C[C@H]4[C@H](C3)CCC[N@H+]4C)c(F)c2)CC1 ZINC001236948901 1305743170 /nfs/dbraw/zinc/74/31/70/1305743170.db2.gz YDKSAIUAPOZVHV-PXNSSMCTSA-N 2 1 346.494 2.104 20 10 EECDMP COc1c(O)c(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC001118243326 1306325341 /nfs/dbraw/zinc/32/53/41/1306325341.db2.gz QEVPEVQSJCGDNM-UHFFFAOYSA-N 2 1 335.404 2.275 20 10 EECDMP COc1c(O)c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC001118243326 1306325353 /nfs/dbraw/zinc/32/53/53/1306325353.db2.gz QEVPEVQSJCGDNM-UHFFFAOYSA-N 2 1 335.404 2.275 20 10 EECDMP CCOC(=O)c1cc2c(cc(C)[nH+]c2-c2cnn(C3C[NH2+]C3)c2)n1C ZINC001241592094 1309514587 /nfs/dbraw/zinc/51/45/87/1309514587.db2.gz RPMUKVHRNHUVGB-UHFFFAOYSA-N 2 1 339.399 2.066 20 10 EECDMP CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)C[C@@H]2C1 ZINC001138499765 1314622726 /nfs/dbraw/zinc/62/27/26/1314622726.db2.gz IHPDRAYJRYXBHU-KDURUIRLSA-N 2 1 329.488 2.297 20 10 EECDMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001251729782 1317495031 /nfs/dbraw/zinc/49/50/31/1317495031.db2.gz COXDVXNSGGWUPY-HNNXBMFYSA-N 2 1 343.450 2.088 20 10 EECDMP C[NH+](C)/C=C/c1cc(N(CC[NH3+])c2cccnc2)ncc1[N+](=O)[O-] ZINC001158001397 1318966704 /nfs/dbraw/zinc/96/67/04/1318966704.db2.gz GCKRGTOGNQCELA-VMPITWQZSA-N 2 1 328.376 2.014 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)([NH3+])CC3)c(F)c2)CC1 ZINC001205289068 1322343268 /nfs/dbraw/zinc/34/32/68/1322343268.db2.gz SFAGDIDZTNQVAI-LJQANCHMSA-N 3 1 334.483 2.281 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CCC[C@@](C)([NH3+])CC3)c(F)c2)CC1 ZINC001205289068 1322343274 /nfs/dbraw/zinc/34/32/74/1322343274.db2.gz SFAGDIDZTNQVAI-LJQANCHMSA-N 2 1 334.483 2.281 20 10 EECDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001210493711 1325309323 /nfs/dbraw/zinc/30/93/23/1325309323.db2.gz NZTKNDMYGDCGJK-GOSISDBHSA-N 2 1 347.503 2.426 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC001308204583 1331572121 /nfs/dbraw/zinc/57/21/21/1331572121.db2.gz ACRRMGMCQRUGOM-VQTJNVASSA-N 2 1 328.504 2.155 20 10 EECDMP C[C@H]1CCC[N@H+](CCNCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308199735 1331572384 /nfs/dbraw/zinc/57/23/84/1331572384.db2.gz ONBJKSSSXMKKJY-SFHVURJKSA-N 2 1 330.520 2.260 20 10 EECDMP C[C@H]1CCC[N@@H+](CCNCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308199735 1331572385 /nfs/dbraw/zinc/57/23/85/1331572385.db2.gz ONBJKSSSXMKKJY-SFHVURJKSA-N 2 1 330.520 2.260 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2F)CC1 ZINC001319715275 1332749478 /nfs/dbraw/zinc/74/94/78/1332749478.db2.gz LKXFZKMVBUMYQR-ROUUACIJSA-N 2 1 347.478 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2F)CC1 ZINC001319715275 1332749479 /nfs/dbraw/zinc/74/94/79/1332749479.db2.gz LKXFZKMVBUMYQR-ROUUACIJSA-N 2 1 347.478 2.436 20 10 EECDMP Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC001323831740 1333549497 /nfs/dbraw/zinc/54/94/97/1333549497.db2.gz YMIPUMAJCXSZNQ-LSDHHAIUSA-N 2 1 331.460 2.003 20 10 EECDMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)nn1 ZINC001328681550 1334497687 /nfs/dbraw/zinc/49/76/87/1334497687.db2.gz OCOJEWVARHRUGA-IBGZPJMESA-N 2 1 340.475 2.174 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]CC3SCCS3)cc2F)CC1 ZINC001118484641 1371784254 /nfs/dbraw/zinc/78/42/54/1371784254.db2.gz RQORVOCMAVSIRC-UHFFFAOYSA-N 2 1 341.521 2.473 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843056934 790914131 /nfs/dbraw/zinc/91/41/31/790914131.db2.gz CPQFQCZODWQXTA-ZJUUUORDSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1O ZINC000843056934 790914143 /nfs/dbraw/zinc/91/41/43/790914143.db2.gz CPQFQCZODWQXTA-ZJUUUORDSA-N 2 1 329.238 2.332 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000817865535 785031557 /nfs/dbraw/zinc/03/15/57/785031557.db2.gz KNRUDRBXBNPHCU-ZIFCJYIRSA-N 3 1 330.520 2.244 20 10 EECDMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000817865535 785031562 /nfs/dbraw/zinc/03/15/62/785031562.db2.gz KNRUDRBXBNPHCU-ZIFCJYIRSA-N 2 1 330.520 2.244 20 10 EECDMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000817865535 785031570 /nfs/dbraw/zinc/03/15/70/785031570.db2.gz KNRUDRBXBNPHCU-ZIFCJYIRSA-N 2 1 330.520 2.244 20 10 EECDMP CCN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2F)CC1 ZINC000817902483 785054901 /nfs/dbraw/zinc/05/49/01/785054901.db2.gz REYUAMVDEVZQPD-WMZOPIPTSA-N 2 1 334.483 2.185 20 10 EECDMP CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000817971809 785122042 /nfs/dbraw/zinc/12/20/42/785122042.db2.gz HIBBBIBFZBGOCZ-HIFRSBDPSA-N 2 1 349.372 2.408 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001144504660 789894563 /nfs/dbraw/zinc/89/45/63/789894563.db2.gz YUBYEMOWQXRXKB-STQMWFEESA-N 2 1 346.452 2.429 20 10 EECDMP Cc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000788593152 807598496 /nfs/dbraw/zinc/59/84/96/807598496.db2.gz FJQLBQOEKGADHQ-JKSUJKDBSA-N 2 1 333.476 2.247 20 10 EECDMP Cc1cc(Br)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1O ZINC000194542980 463881368 /nfs/dbraw/zinc/88/13/68/463881368.db2.gz IONLNSBLUPZYRM-BETUJISGSA-N 2 1 325.250 2.457 20 10 EECDMP CCOc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1O ZINC000289181621 464070446 /nfs/dbraw/zinc/07/04/46/464070446.db2.gz AOGZUQDVCMJHLB-UHFFFAOYSA-N 2 1 335.492 2.249 20 10 EECDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000771818397 577232437 /nfs/dbraw/zinc/23/24/37/577232437.db2.gz KDQFMKCMHHWJBB-IBGZPJMESA-N 3 1 330.520 2.258 20 10 EECDMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000765886431 577508654 /nfs/dbraw/zinc/50/86/54/577508654.db2.gz TZRGFNSQMREGTO-MRXNPFEDSA-N 2 1 346.519 2.346 20 10 EECDMP CN(C)CC[N@@H+]1CC[C@H]2C[NH+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001275913522 1205583317 /nfs/dbraw/zinc/58/33/17/1205583317.db2.gz PASFXHVLXXKDEL-IYBDPMFKSA-N 2 1 335.467 2.237 20 10 EECDMP CN(C)CC[NH+]1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001275913522 1205583319 /nfs/dbraw/zinc/58/33/19/1205583319.db2.gz PASFXHVLXXKDEL-IYBDPMFKSA-N 2 1 335.467 2.237 20 10 EECDMP CN(C)CC[NH+]1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001275913522 1205583320 /nfs/dbraw/zinc/58/33/20/1205583320.db2.gz PASFXHVLXXKDEL-IYBDPMFKSA-N 2 1 335.467 2.237 20 10 EECDMP C[NH+](C)CCN1CC[C@H]2C[N@@H+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001275913522 1205583322 /nfs/dbraw/zinc/58/33/22/1205583322.db2.gz PASFXHVLXXKDEL-IYBDPMFKSA-N 2 1 335.467 2.237 20 10 EECDMP C[NH+](C)CCN1CC[C@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]2CC1 ZINC001275913522 1205583324 /nfs/dbraw/zinc/58/33/24/1205583324.db2.gz PASFXHVLXXKDEL-IYBDPMFKSA-N 2 1 335.467 2.237 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001211284874 1295799461 /nfs/dbraw/zinc/79/94/61/1295799461.db2.gz OGCPSELFEGGAAL-SFHVURJKSA-N 2 1 347.503 2.424 20 10 EECDMP COc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc(C[NH+](C)C)c1O ZINC001276860302 1299965379 /nfs/dbraw/zinc/96/53/79/1299965379.db2.gz HHEUTLNHCNXXCM-FQEVSTJZSA-N 2 1 347.503 2.380 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@]4(CCCO4)C3)c(F)c2)CC1 ZINC001236934016 1305735738 /nfs/dbraw/zinc/73/57/38/1305735738.db2.gz BKILNVAKQPHWNC-IBGZPJMESA-N 2 1 333.451 2.332 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)CCc3noc(C)n3)cc2)CC1 ZINC001140302694 1314861622 /nfs/dbraw/zinc/86/16/22/1314861622.db2.gz XZZMGSDPBBPDHJ-UHFFFAOYSA-N 2 1 343.475 2.194 20 10 EECDMP Cc1c(O)ccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1O ZINC001140748987 1314954981 /nfs/dbraw/zinc/95/49/81/1314954981.db2.gz MWVLSQVJSAVMHY-UHFFFAOYSA-N 2 1 334.460 2.481 20 10 EECDMP Cc1c(O)ccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1O ZINC001140748987 1314954985 /nfs/dbraw/zinc/95/49/85/1314954985.db2.gz MWVLSQVJSAVMHY-UHFFFAOYSA-N 2 1 334.460 2.481 20 10 EECDMP Cc1cc(N(C)C)ccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000840916777 1315435106 /nfs/dbraw/zinc/43/51/06/1315435106.db2.gz DMIVSXVPQRBFRB-HXUWFJFHSA-N 2 1 330.520 2.273 20 10 EECDMP COc1cc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206547026 1323528876 /nfs/dbraw/zinc/52/88/76/1323528876.db2.gz AQTPSYYIXNALJM-LJQANCHMSA-N 3 1 335.492 2.413 20 10 EECDMP COc1cc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)cc(C[NH+](C)C)c1O ZINC001206547026 1323528880 /nfs/dbraw/zinc/52/88/80/1323528880.db2.gz AQTPSYYIXNALJM-LJQANCHMSA-N 3 1 335.492 2.413 20 10 EECDMP CC[N@@H+]1C[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C ZINC001323324485 1333441727 /nfs/dbraw/zinc/44/17/27/1333441727.db2.gz VXZFGDKEWYVPSA-IRXDYDNUSA-N 2 1 348.510 2.492 20 10 EECDMP CC[N@H+]1C[C@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C ZINC001323324485 1333441730 /nfs/dbraw/zinc/44/17/30/1333441730.db2.gz VXZFGDKEWYVPSA-IRXDYDNUSA-N 2 1 348.510 2.492 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCCC[C@@H]3O)cc2F)CC1 ZINC001330533834 1334865844 /nfs/dbraw/zinc/86/58/44/1334865844.db2.gz RUQXRVFYKXVEOB-APWZRJJASA-N 2 1 335.467 2.218 20 10 EECDMP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000832281027 1372423350 /nfs/dbraw/zinc/42/33/50/1372423350.db2.gz QZWIKDQRNPDJKO-OALUTQOASA-N 2 1 340.471 2.172 20 10 EECDMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc3ccccc3c2O)C1 ZINC000816548343 784110978 /nfs/dbraw/zinc/11/09/78/784110978.db2.gz DPQQVVCQMIFSHM-KRWDZBQOSA-N 2 1 341.455 2.222 20 10 EECDMP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205110641 795266375 /nfs/dbraw/zinc/26/63/75/795266375.db2.gz XMZIKJUUZGRAPS-SNVBAGLBSA-N 2 1 329.238 2.477 20 10 EECDMP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]([NH3+])CC2)c1O ZINC001205110641 795266378 /nfs/dbraw/zinc/26/63/78/795266378.db2.gz XMZIKJUUZGRAPS-SNVBAGLBSA-N 2 1 329.238 2.477 20 10 EECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000151559996 463552768 /nfs/dbraw/zinc/55/27/68/463552768.db2.gz IPZVKBQDRSBWTK-APWZRJJASA-N 2 1 331.504 2.468 20 10 EECDMP COc1c([O-])c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000278950201 464012825 /nfs/dbraw/zinc/01/28/25/464012825.db2.gz ZGLPGCXNFXVUFZ-JSGCOSHPSA-N 2 1 335.404 2.225 20 10 EECDMP COC(=O)CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C(C)C ZINC000775700156 577443178 /nfs/dbraw/zinc/44/31/78/577443178.db2.gz CSYWXICZMGATDY-UHFFFAOYSA-N 2 1 333.476 2.212 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)cc2)CC1 ZINC000876934660 1199823366 /nfs/dbraw/zinc/82/33/66/1199823366.db2.gz HZUHUARKTJVYHH-VQTJNVASSA-N 2 1 329.488 2.364 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)cc2)CC1 ZINC000876934660 1199823371 /nfs/dbraw/zinc/82/33/71/1199823371.db2.gz HZUHUARKTJVYHH-VQTJNVASSA-N 2 1 329.488 2.364 20 10 EECDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001275278786 1205297206 /nfs/dbraw/zinc/29/72/06/1205297206.db2.gz ONGHDTYKGVWLKL-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001275278786 1205297208 /nfs/dbraw/zinc/29/72/08/1205297208.db2.gz ONGHDTYKGVWLKL-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1ccc(O)c(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c1 ZINC001275278786 1205297209 /nfs/dbraw/zinc/29/72/09/1205297209.db2.gz ONGHDTYKGVWLKL-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1ccc(O)c(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1 ZINC001275278786 1205297210 /nfs/dbraw/zinc/29/72/10/1205297210.db2.gz ONGHDTYKGVWLKL-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1 ZINC001275278786 1205297212 /nfs/dbraw/zinc/29/72/12/1205297212.db2.gz ONGHDTYKGVWLKL-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235824863 1305409463 /nfs/dbraw/zinc/40/94/63/1305409463.db2.gz CPIIOMSTGMTQFR-GOSISDBHSA-N 2 1 331.460 2.014 20 10 EECDMP CCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235824863 1305409472 /nfs/dbraw/zinc/40/94/72/1305409472.db2.gz CPIIOMSTGMTQFR-GOSISDBHSA-N 2 1 331.460 2.014 20 10 EECDMP C[NH+](C)CCN(Cc1cc(Cl)cc(F)c1O)[C@H]1CCC[NH2+]C1 ZINC001236931438 1305733485 /nfs/dbraw/zinc/73/34/85/1305733485.db2.gz GVSFIWKICWXLKO-AWEZNQCLSA-N 2 1 329.847 2.300 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c(O)c(OC)c1 ZINC001237680886 1306042114 /nfs/dbraw/zinc/04/21/14/1306042114.db2.gz MXNYURPTOOGNGD-HNNXBMFYSA-N 2 1 330.384 2.458 20 10 EECDMP CC(C)(C)[C@H]1C[C@@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176391 1310254067 /nfs/dbraw/zinc/25/40/67/1310254067.db2.gz XIRAOVAHXXTWEY-PKOBYXMFSA-N 2 1 330.520 2.353 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256089 1314721979 /nfs/dbraw/zinc/72/19/79/1314721979.db2.gz SSUDJFROZMFZNM-IFXJQAMLSA-N 2 1 336.476 2.445 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)cc2)CC1 ZINC001139408995 1314740501 /nfs/dbraw/zinc/74/05/01/1314740501.db2.gz RRAMHMRUYQIADJ-ICSRJNTNSA-N 2 1 329.488 2.439 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCc4c(cnn4C)C3)cc2)CC1 ZINC001140306606 1314863250 /nfs/dbraw/zinc/86/32/50/1314863250.db2.gz VGZIRTFDLPMRET-UHFFFAOYSA-N 2 1 339.487 2.120 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCc4c(cnn4C)C3)cc2)CC1 ZINC001140306606 1314863255 /nfs/dbraw/zinc/86/32/55/1314863255.db2.gz VGZIRTFDLPMRET-UHFFFAOYSA-N 2 1 339.487 2.120 20 10 EECDMP COC[C@@]1(C[NH2+]Cc2cc(Br)cc(C)c2O)CCC[NH2+]1 ZINC000841067275 1315466651 /nfs/dbraw/zinc/46/66/51/1315466651.db2.gz MNAQUKVNHJLWGU-HNNXBMFYSA-N 2 1 343.265 2.321 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](CO)C(C)(C)C ZINC001319718918 1332749733 /nfs/dbraw/zinc/74/97/33/1332749733.db2.gz SDEZGGRWADIWAG-GOSISDBHSA-N 2 1 337.483 2.416 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](CO)C(C)(C)C ZINC001319718918 1332749735 /nfs/dbraw/zinc/74/97/35/1332749735.db2.gz SDEZGGRWADIWAG-GOSISDBHSA-N 2 1 337.483 2.416 20 10 EECDMP COc1c(O)c(C[NH2+]Cc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC001579136929 1344341778 /nfs/dbraw/zinc/34/17/78/1344341778.db2.gz UXHXIGLDFLNKIP-UHFFFAOYSA-N 2 1 343.383 2.245 20 10 EECDMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]21 ZINC001140287574 1372557474 /nfs/dbraw/zinc/55/74/74/1372557474.db2.gz YXIOYXMKSSDPAR-PXNSSMCTSA-N 2 1 329.488 2.174 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](O)CC(C)(C)C3)cc2)CC1 ZINC000825091474 788438203 /nfs/dbraw/zinc/43/82/03/788438203.db2.gz ZYMQZIUJUAWFHR-IBGZPJMESA-N 2 1 331.504 2.421 20 10 EECDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(OC)ccc1O ZINC000289519435 464082686 /nfs/dbraw/zinc/08/26/86/464082686.db2.gz VFTHCTFSFMPKDK-QGZVFWFLSA-N 2 1 335.492 2.249 20 10 EECDMP CN(C)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000279902730 464163134 /nfs/dbraw/zinc/16/31/34/464163134.db2.gz LJXHSNMGNLOUAN-HNNXBMFYSA-N 2 1 345.409 2.318 20 10 EECDMP Cc1cnn([C@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)c1 ZINC000811517993 1200103949 /nfs/dbraw/zinc/10/39/49/1200103949.db2.gz GMPPPGBHYXIRFZ-FQEVSTJZSA-N 2 1 339.487 2.390 20 10 EECDMP CCOC(=O)[C@H]1CCCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236037244 1305479792 /nfs/dbraw/zinc/47/97/92/1305479792.db2.gz FDWIGTYQEKWPFS-SFHVURJKSA-N 2 1 345.487 2.261 20 10 EECDMP CCc1ccc(C[NH+]2CCN(CC3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001236788864 1305677068 /nfs/dbraw/zinc/67/70/68/1305677068.db2.gz RREKLHIIHHKJBQ-UHFFFAOYSA-N 2 1 331.504 2.414 20 10 EECDMP Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC001139132607 1314709085 /nfs/dbraw/zinc/70/90/85/1314709085.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 2 1 328.412 2.335 20 10 EECDMP Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001139132607 1314709089 /nfs/dbraw/zinc/70/90/89/1314709089.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 2 1 328.412 2.335 20 10 EECDMP Cc1cc(=O)oc2c1ccc([O-])c2C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC001139132607 1314709092 /nfs/dbraw/zinc/70/90/92/1314709092.db2.gz YBYFGHKKJPXBOM-IBGZPJMESA-N 2 1 328.412 2.335 20 10 EECDMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(C[NH+](C)C)c1O ZINC001139256495 1314721839 /nfs/dbraw/zinc/72/18/39/1314721839.db2.gz DKUMCAQRYYSNGA-UHFFFAOYSA-N 3 1 335.492 2.236 20 10 EECDMP COc1cc(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139260673 1314722753 /nfs/dbraw/zinc/72/27/53/1314722753.db2.gz OTDQPAFMFRWVHV-HNNXBMFYSA-N 2 1 335.492 2.377 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCCC(=O)[C@@H]4C3)cc2)CC1 ZINC001139411224 1314741107 /nfs/dbraw/zinc/74/11/07/1314741107.db2.gz AJOXRLVWOZCYIX-PKOBYXMFSA-N 2 1 327.472 2.239 20 10 EECDMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(N4CCOCC4)cc3F)C2)C1 ZINC001140664593 1314925235 /nfs/dbraw/zinc/92/52/35/1314925235.db2.gz MXHRGBSTNGUDGY-IBGZPJMESA-N 2 1 333.451 2.190 20 10 EECDMP Fc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1N1CCOCC1 ZINC000843043864 1315827511 /nfs/dbraw/zinc/82/75/11/1315827511.db2.gz MNMWKVWBOMHVSD-UHFFFAOYSA-N 2 1 333.451 2.379 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1C ZINC000843058125 1315831654 /nfs/dbraw/zinc/83/16/54/1315831654.db2.gz PVGHHFRMBFJHQB-FUHWJXTLSA-N 2 1 345.487 2.089 20 10 EECDMP COc1cc(O)c(C[N@@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205116956 1322288924 /nfs/dbraw/zinc/28/89/24/1322288924.db2.gz JZZYTTFSCMEURI-NSHDSACASA-N 2 1 329.238 2.477 20 10 EECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([NH3+])CC2)cc1Br ZINC001205116956 1322288931 /nfs/dbraw/zinc/28/89/31/1322288931.db2.gz JZZYTTFSCMEURI-NSHDSACASA-N 2 1 329.238 2.477 20 10 EECDMP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC001325321793 1333863424 /nfs/dbraw/zinc/86/34/24/1333863424.db2.gz ZSHNLKQWJBIVLT-NVXWUHKLSA-N 3 1 334.483 2.055 20 10 EECDMP C[NH2+]CC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001332338320 1335805261 /nfs/dbraw/zinc/80/52/61/1335805261.db2.gz COKFPAIITLNBRX-UHFFFAOYSA-N 3 1 334.483 2.009 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CC[N@@H+](C)C2)cc1C ZINC001035125809 783848035 /nfs/dbraw/zinc/84/80/35/783848035.db2.gz OODDAOLAYXTFOE-ZWKOTPCHSA-N 2 1 345.487 2.036 20 10 EECDMP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3c(O)ccc(Cl)c3F)C2)CC1 ZINC000377387245 467055797 /nfs/dbraw/zinc/05/57/97/467055797.db2.gz STJNZCNEPUAEAY-LBPRGKRZSA-N 2 1 341.858 2.443 20 10 EECDMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768445863 577555968 /nfs/dbraw/zinc/55/59/68/577555968.db2.gz IQZPYFOYHZKNEO-GOSISDBHSA-N 2 1 334.460 2.370 20 10 EECDMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)cc1C ZINC000768463456 577556270 /nfs/dbraw/zinc/55/62/70/577556270.db2.gz UDOUAHQHKQWKIC-GPMSIDNRSA-N 2 1 334.460 2.393 20 10 EECDMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873015688 1198475195 /nfs/dbraw/zinc/47/51/95/1198475195.db2.gz UDWCVHQFRHIDMN-KRWDZBQOSA-N 2 1 328.460 2.371 20 10 EECDMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1Cn1cccn1 ZINC000873101493 1198500284 /nfs/dbraw/zinc/50/02/84/1198500284.db2.gz VYZMKBSNCYVYML-UHFFFAOYSA-N 2 1 326.444 2.292 20 10 EECDMP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@H]3CCC[N@H+]3C)C2)cc1C ZINC000961641438 1217256684 /nfs/dbraw/zinc/25/66/84/1217256684.db2.gz NYOCGJBRHMUUBP-DAWZGUTISA-N 2 1 345.487 2.082 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1C ZINC001019383152 1229054351 /nfs/dbraw/zinc/05/43/51/1229054351.db2.gz XOJCFUBKSRPLBF-YJBOKZPZSA-N 2 1 345.487 2.036 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001019655533 1229236327 /nfs/dbraw/zinc/23/63/27/1229236327.db2.gz TVJYIXWHFURRKW-MSOLQXFVSA-N 2 1 345.487 2.036 20 10 EECDMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000801517043 1235759888 /nfs/dbraw/zinc/75/98/88/1235759888.db2.gz JQCSQLHZBLCNKE-UHFFFAOYSA-N 2 1 345.487 2.301 20 10 EECDMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000801517043 1235759892 /nfs/dbraw/zinc/75/98/92/1235759892.db2.gz JQCSQLHZBLCNKE-UHFFFAOYSA-N 2 1 345.487 2.301 20 10 EECDMP Cc1ccc(C)n1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001235003457 1305081739 /nfs/dbraw/zinc/08/17/39/1305081739.db2.gz YKCCDCWITGCSBF-QUCCMNQESA-N 2 1 325.456 2.108 20 10 EECDMP Cc1ccc(C)n1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@@]3(CO)C2)cc1 ZINC001235003457 1305081746 /nfs/dbraw/zinc/08/17/46/1305081746.db2.gz YKCCDCWITGCSBF-QUCCMNQESA-N 2 1 325.456 2.108 20 10 EECDMP CCCCCN1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)cc2O)CC1 ZINC001235689769 1305332863 /nfs/dbraw/zinc/33/28/63/1305332863.db2.gz BORATHFSOYNYHB-UHFFFAOYSA-N 2 1 346.519 2.110 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(N)c3)cc2F)CC1 ZINC001118438999 1308856573 /nfs/dbraw/zinc/85/65/73/1308856573.db2.gz WDAVERAAWXIEKS-UHFFFAOYSA-N 2 1 328.435 2.450 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)cc(C[NH+](C)C)c1O ZINC001139258937 1314722635 /nfs/dbraw/zinc/72/26/35/1314722635.db2.gz BKCQZRILJLPDCK-CQSZACIVSA-N 2 1 346.431 2.143 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC4(C3)OCCO4)cc2)CC1 ZINC001140306057 1314863510 /nfs/dbraw/zinc/86/35/10/1314863510.db2.gz MRAPFLSQPMCLND-UHFFFAOYSA-N 2 1 345.487 2.167 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(C(=O)OC)C3)cc2)CC1 ZINC001140309368 1314864738 /nfs/dbraw/zinc/86/47/38/1314864738.db2.gz CYUQZEYSBGIEIQ-HXUWFJFHSA-N 2 1 345.487 2.214 20 10 EECDMP Fc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1N1CCOCC1 ZINC000843120169 1315847689 /nfs/dbraw/zinc/84/76/89/1315847689.db2.gz HAGUSJSZSFPJQZ-UHFFFAOYSA-N 2 1 333.451 2.238 20 10 EECDMP CC(C)[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1O)[C@@H]1CCC[NH2+]CC1 ZINC001206597929 1323542598 /nfs/dbraw/zinc/54/25/98/1323542598.db2.gz GLIPBASNFAYRNI-GOSISDBHSA-N 3 1 346.519 2.154 20 10 EECDMP COCC1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001319950194 1332800983 /nfs/dbraw/zinc/80/09/83/1332800983.db2.gz HWDFIQGDNLNIOI-UHFFFAOYSA-N 2 1 335.467 2.436 20 10 EECDMP CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1(C)C ZINC001319950426 1332801310 /nfs/dbraw/zinc/80/13/10/1332801310.db2.gz CMSHUNATETYHPN-ROUUACIJSA-N 2 1 335.467 2.481 20 10 EECDMP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@H](C)O1 ZINC001325291538 1333859044 /nfs/dbraw/zinc/85/90/44/1333859044.db2.gz UDNIZTSDEHHVEU-HLLBOEOZSA-N 2 1 335.467 2.481 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428441 1334647626 /nfs/dbraw/zinc/64/76/26/1334647626.db2.gz RDYAAYKDENZYCT-SCTDSRPQSA-N 2 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428441 1334647628 /nfs/dbraw/zinc/64/76/28/1334647628.db2.gz RDYAAYKDENZYCT-SCTDSRPQSA-N 3 1 346.494 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2F)CC1 ZINC001329428441 1334647631 /nfs/dbraw/zinc/64/76/31/1334647631.db2.gz RDYAAYKDENZYCT-SCTDSRPQSA-N 3 1 346.494 2.137 20 10 EECDMP CC(C)C[N@@H+](CCN(C)C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809729569 783313516 /nfs/dbraw/zinc/31/35/16/783313516.db2.gz KBRJZZQEFONOCO-UHFFFAOYSA-N 2 1 332.536 2.458 20 10 EECDMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(OC)c3O)CC2)CC1 ZINC000817414312 784765860 /nfs/dbraw/zinc/76/58/60/784765860.db2.gz WFSADMIPHVRVEG-UHFFFAOYSA-N 2 1 347.503 2.393 20 10 EECDMP CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1O ZINC000371471056 465817210 /nfs/dbraw/zinc/81/72/10/465817210.db2.gz QMLJLFKFBOBBKZ-JFIYKMOQSA-N 2 1 334.460 2.474 20 10 EECDMP CCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)c1 ZINC000769525572 577579711 /nfs/dbraw/zinc/57/97/11/577579711.db2.gz IPWUDOVPQRTNOM-APWZRJJASA-N 2 1 347.503 2.249 20 10 EECDMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449323 693319151 /nfs/dbraw/zinc/31/91/51/693319151.db2.gz BCKCOTKDPASRDU-YSGRDPCXSA-N 2 1 330.520 2.428 20 10 EECDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449323 693319157 /nfs/dbraw/zinc/31/91/57/693319157.db2.gz BCKCOTKDPASRDU-YSGRDPCXSA-N 2 1 330.520 2.428 20 10 EECDMP CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3CC[NH+](C)C)c(O)c1 ZINC001276814496 1298458664 /nfs/dbraw/zinc/45/86/64/1298458664.db2.gz ICQLPNWPQGTZRN-CALCHBBNSA-N 2 1 333.476 2.001 20 10 EECDMP Nc1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OCC[NH2+]C3)CC2 ZINC001236232725 1305538671 /nfs/dbraw/zinc/53/86/71/1305538671.db2.gz DEDRJCNZRWTLRD-UHFFFAOYSA-N 2 1 325.412 2.015 20 10 EECDMP CN(C)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000843053299 1315830610 /nfs/dbraw/zinc/83/06/10/1315830610.db2.gz UPFMESMIMCTFSL-UHFFFAOYSA-N 2 1 344.425 2.108 20 10 EECDMP COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)CC1CC[NH2+]CC1 ZINC000843063311 1315833317 /nfs/dbraw/zinc/83/33/17/1315833317.db2.gz RGZFRBWFQWLPPI-UHFFFAOYSA-N 2 1 326.824 2.020 20 10 EECDMP COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)CC1CC[NH2+]CC1 ZINC000843063311 1315833320 /nfs/dbraw/zinc/83/33/20/1315833320.db2.gz RGZFRBWFQWLPPI-UHFFFAOYSA-N 2 1 326.824 2.020 20 10 EECDMP Fc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1N1CCOCC1 ZINC000843125227 1315849125 /nfs/dbraw/zinc/84/91/25/1315849125.db2.gz OLOKCSYHOUJGNZ-ROUUACIJSA-N 2 1 347.478 2.484 20 10 EECDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001152457723 1316674664 /nfs/dbraw/zinc/67/46/64/1316674664.db2.gz HNDLSOGMJGGNSB-KRWDZBQOSA-N 2 1 333.476 2.084 20 10 EECDMP CC(C)C[NH+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001341524414 1337294736 /nfs/dbraw/zinc/29/47/36/1337294736.db2.gz RYUHMFOFPPFNTI-UHFFFAOYSA-N 2 1 348.510 2.351 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]4C[NH+](C)CC[C@H]43)cc2)CC1 ZINC000809767573 783339510 /nfs/dbraw/zinc/33/95/10/783339510.db2.gz ONCAQXZWFDZUSO-PZJWPPBQSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC[C@H]4C[N@H+](C)CC[C@H]43)cc2)CC1 ZINC000809767573 783339515 /nfs/dbraw/zinc/33/95/15/783339515.db2.gz ONCAQXZWFDZUSO-PZJWPPBQSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC[C@H]4C[N@@H+](C)CC[C@H]43)cc2)CC1 ZINC000809767573 783339524 /nfs/dbraw/zinc/33/95/24/783339524.db2.gz ONCAQXZWFDZUSO-PZJWPPBQSA-N 3 1 342.531 2.355 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3CCC(C[NH+](C)C)CC3)cc2)CC1 ZINC000775652971 577441937 /nfs/dbraw/zinc/44/19/37/577441937.db2.gz XTAWKBGKABPOKM-UHFFFAOYSA-N 2 1 330.520 2.212 20 10 EECDMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000762790312 577707811 /nfs/dbraw/zinc/70/78/11/577707811.db2.gz FNIKHTBBRWEDJL-FQEVSTJZSA-N 2 1 342.439 2.127 20 10 EECDMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000762790312 577707812 /nfs/dbraw/zinc/70/78/12/577707812.db2.gz FNIKHTBBRWEDJL-FQEVSTJZSA-N 2 1 342.439 2.127 20 10 EECDMP Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000763332889 577719299 /nfs/dbraw/zinc/71/92/99/577719299.db2.gz OPBMLKVAVJICKU-HKUYNNGSSA-N 2 1 331.504 2.467 20 10 EECDMP COc1ccc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)c(OC)c1 ZINC000879462972 1201081050 /nfs/dbraw/zinc/08/10/50/1201081050.db2.gz XEMSNZNFAVIUAJ-UHFFFAOYSA-N 2 1 344.459 2.421 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001000926905 1241224122 /nfs/dbraw/zinc/22/41/22/1241224122.db2.gz KQZZYMGSJGZECK-ROUUACIJSA-N 2 1 345.487 2.036 20 10 EECDMP CN(C)c1cc(F)c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000858133472 1294016681 /nfs/dbraw/zinc/01/66/81/1294016681.db2.gz QSXILXGOKIIJCT-HNNXBMFYSA-N 2 1 341.446 2.357 20 10 EECDMP c1cc(N2CCCCC2)ccc1C[N@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001222091410 1299342539 /nfs/dbraw/zinc/34/25/39/1299342539.db2.gz TXSSMDYLLXBEDZ-UHFFFAOYSA-N 2 1 328.504 2.204 20 10 EECDMP CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@@H](N4CC([NH3+])C4)C3)ccc2O1 ZINC001236077978 1305494140 /nfs/dbraw/zinc/49/41/40/1305494140.db2.gz BMPZKNYCCCHKRC-MRXNPFEDSA-N 2 1 343.471 2.184 20 10 EECDMP Fc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236319973 1305559802 /nfs/dbraw/zinc/55/98/02/1305559802.db2.gz JEAPCBIBSRAOLL-IYBDPMFKSA-N 2 1 333.451 2.094 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1F)[C@H]1CC[C@H](O)CC1 ZINC001236937316 1305737155 /nfs/dbraw/zinc/73/71/55/1305737155.db2.gz ZAIXXSRNTFUZDO-SAABIXHNSA-N 2 1 335.467 2.313 20 10 EECDMP C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236938139 1305737800 /nfs/dbraw/zinc/73/78/00/1305737800.db2.gz KAASYBBISIHQKR-PXNSSMCTSA-N 2 1 346.494 2.104 20 10 EECDMP COc1cc(C[NH+]2CCC3(CC(N(C)C)=[NH+]O3)CC2)c(O)c(OC)c1 ZINC001237673104 1306037607 /nfs/dbraw/zinc/03/76/07/1306037607.db2.gz GYPQLBKWARLPJD-UHFFFAOYSA-N 2 1 349.431 2.039 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4CCO[C@H]4C3)cc2)CC1 ZINC001140301837 1314860114 /nfs/dbraw/zinc/86/01/14/1314860114.db2.gz AVUSOSFQIWHVQA-QUCCMNQESA-N 2 1 329.488 2.439 20 10 EECDMP CN(C)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(C(F)(F)F)c1 ZINC000841086854 1315471783 /nfs/dbraw/zinc/47/17/83/1315471783.db2.gz PMEJTQZHMUAQKE-AWEZNQCLSA-N 2 1 331.382 2.240 20 10 EECDMP Oc1cccc2c1C[N@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)CC2 ZINC001252932650 1317731293 /nfs/dbraw/zinc/73/12/93/1317731293.db2.gz VTLIIEGHBVFPBB-OAQYLSRUSA-N 2 1 338.451 2.387 20 10 EECDMP Oc1cccc2c1C[N@@H+](C[C@]1(O)CC[NH+](Cc3ccccc3)C1)CC2 ZINC001252932650 1317731298 /nfs/dbraw/zinc/73/12/98/1317731298.db2.gz VTLIIEGHBVFPBB-OAQYLSRUSA-N 2 1 338.451 2.387 20 10 EECDMP Oc1cccc2c1C[NH+](C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001252932650 1317731302 /nfs/dbraw/zinc/73/13/02/1317731302.db2.gz VTLIIEGHBVFPBB-OAQYLSRUSA-N 2 1 338.451 2.387 20 10 EECDMP Oc1cccc2c1C[NH+](C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001252932650 1317731308 /nfs/dbraw/zinc/73/13/08/1317731308.db2.gz VTLIIEGHBVFPBB-OAQYLSRUSA-N 2 1 338.451 2.387 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205095555 1322282713 /nfs/dbraw/zinc/28/27/13/1322282713.db2.gz YUDNLQJQOYTVJC-LBPRGKRZSA-N 2 1 329.238 2.477 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2CCC[C@H]([NH3+])CC2)c1O ZINC001205095555 1322282724 /nfs/dbraw/zinc/28/27/24/1322282724.db2.gz YUDNLQJQOYTVJC-LBPRGKRZSA-N 2 1 329.238 2.477 20 10 EECDMP Cc1cc(Br)cc(C[N@H+]2CCC[C@@](O)(C[NH3+])CC2)c1O ZINC001205240021 1322326958 /nfs/dbraw/zinc/32/69/58/1322326958.db2.gz GQZQRRCMSDVAPT-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@H](C[NH3+])C3)cc2)CC1 ZINC001206622526 1323549189 /nfs/dbraw/zinc/54/91/89/1323549189.db2.gz DYKKZLKLMMKJSS-IBGZPJMESA-N 3 1 330.520 2.389 20 10 EECDMP C[C@@H]1CCC[N@H+](CCNCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308199732 1331572184 /nfs/dbraw/zinc/57/21/84/1331572184.db2.gz ONBJKSSSXMKKJY-GOSISDBHSA-N 2 1 330.520 2.260 20 10 EECDMP C[C@@H]1CCC[N@@H+](CCNCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001308199732 1331572188 /nfs/dbraw/zinc/57/21/88/1331572188.db2.gz ONBJKSSSXMKKJY-GOSISDBHSA-N 2 1 330.520 2.260 20 10 EECDMP CO[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C(F)(F)F ZINC001318567484 1332561862 /nfs/dbraw/zinc/56/18/62/1332561862.db2.gz YTQYISSMJRWQNO-HNNXBMFYSA-N 2 1 349.372 2.244 20 10 EECDMP CCC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC001326676233 1334141424 /nfs/dbraw/zinc/14/14/24/1334141424.db2.gz PYGJJRWESMRIGL-QZTJIDSGSA-N 2 1 332.492 2.133 20 10 EECDMP Cc1cc(N2CC=C(CCNC(=O)CCC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC001089855066 778230307 /nfs/dbraw/zinc/23/03/07/778230307.db2.gz FEHPJOUQIZVAJX-UHFFFAOYSA-N 2 1 345.491 2.078 20 10 EECDMP Oc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1O ZINC001167958534 781194232 /nfs/dbraw/zinc/19/42/32/781194232.db2.gz GYLONRSXSWYTID-IHBAFOEMSA-N 2 1 332.444 2.126 20 10 EECDMP Cc1cc(O)c(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000825246504 788534033 /nfs/dbraw/zinc/53/40/33/788534033.db2.gz BERFQJSSXBIMHS-ZDUSSCGKSA-N 2 1 339.867 2.031 20 10 EECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC[N@H+]1C ZINC000151560074 463552413 /nfs/dbraw/zinc/55/24/13/463552413.db2.gz IPZVKBQDRSBWTK-LPHOPBHVSA-N 2 1 331.504 2.468 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(O)cc1C ZINC000768466312 577556539 /nfs/dbraw/zinc/55/65/39/577556539.db2.gz YMILOJYCPOTOTA-SJLPKXTDSA-N 2 1 347.503 2.167 20 10 EECDMP CN(C)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001276360890 1215984940 /nfs/dbraw/zinc/98/49/40/1215984940.db2.gz XYLRQRNBZMKZDI-UHFFFAOYSA-N 2 1 335.467 2.381 20 10 EECDMP CN(C)CC[N@H+]1CCC2(C1)CC[NH+](Cc1c(O)cccc1F)CC2 ZINC001276360890 1215984945 /nfs/dbraw/zinc/98/49/45/1215984945.db2.gz XYLRQRNBZMKZDI-UHFFFAOYSA-N 2 1 335.467 2.381 20 10 EECDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001186834081 1279233016 /nfs/dbraw/zinc/23/30/16/1279233016.db2.gz LFANQEGTMVQNBJ-QGZVFWFLSA-N 2 1 333.476 2.036 20 10 EECDMP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)cc1O ZINC001231638902 1303875116 /nfs/dbraw/zinc/87/51/16/1303875116.db2.gz BYUUSAXXQHTKAL-AWEZNQCLSA-N 2 1 330.384 2.463 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3C)C2)c(O)cc1O ZINC001231638902 1303875119 /nfs/dbraw/zinc/87/51/19/1303875119.db2.gz BYUUSAXXQHTKAL-AWEZNQCLSA-N 2 1 330.384 2.463 20 10 EECDMP Oc1cc(O)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233485676 1304478631 /nfs/dbraw/zinc/47/86/31/1304478631.db2.gz GPACCAOHXFFAIL-CALCHBBNSA-N 2 1 340.423 2.367 20 10 EECDMP Oc1cc(O)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233485676 1304478634 /nfs/dbraw/zinc/47/86/34/1304478634.db2.gz GPACCAOHXFFAIL-CALCHBBNSA-N 2 1 340.423 2.367 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233485676 1304478638 /nfs/dbraw/zinc/47/86/38/1304478638.db2.gz GPACCAOHXFFAIL-CALCHBBNSA-N 2 1 340.423 2.367 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC001233485676 1304478642 /nfs/dbraw/zinc/47/86/42/1304478642.db2.gz GPACCAOHXFFAIL-CALCHBBNSA-N 2 1 340.423 2.367 20 10 EECDMP C[N@H+](Cc1ccc(N2CCOCC2)cc1F)CC1CC[NH+](C)CC1 ZINC001140661886 1314924285 /nfs/dbraw/zinc/92/42/85/1314924285.db2.gz WRLPXUPIUOYKFN-UHFFFAOYSA-N 2 1 335.467 2.436 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841099993 1315475221 /nfs/dbraw/zinc/47/52/21/1315475221.db2.gz RFHNTRVQKQEPKS-LJQANCHMSA-N 2 1 342.491 2.420 20 10 EECDMP COc1cc(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125424 1315849321 /nfs/dbraw/zinc/84/93/21/1315849321.db2.gz WEIKMLITNRSFKU-CYBMUJFWSA-N 2 1 340.851 2.242 20 10 EECDMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323738570 1333528687 /nfs/dbraw/zinc/52/86/87/1333528687.db2.gz AWVGAFWYLVRDAI-SFHVURJKSA-N 2 1 348.510 2.397 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCCC[C@@H]3CO)cc2F)CC1 ZINC001332009034 1335704506 /nfs/dbraw/zinc/70/45/06/1335704506.db2.gz BCZGHYNWRMLANB-QGZVFWFLSA-N 2 1 335.467 2.314 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCCC[C@@H]3CO)cc2F)CC1 ZINC001332009034 1335704510 /nfs/dbraw/zinc/70/45/10/1335704510.db2.gz BCZGHYNWRMLANB-QGZVFWFLSA-N 2 1 335.467 2.314 20 10 EECDMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817940417 785086718 /nfs/dbraw/zinc/08/67/18/785086718.db2.gz GTLTXWOSPKMKER-BFUOFWGJSA-N 2 1 327.476 2.265 20 10 EECDMP COc1cc(Cl)cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000289437715 464079353 /nfs/dbraw/zinc/07/93/53/464079353.db2.gz LNXSOIBNKWWMDH-UHFFFAOYSA-N 2 1 341.883 2.124 20 10 EECDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435240 464583539 /nfs/dbraw/zinc/58/35/39/464583539.db2.gz NCUNLNFCWDHHLC-AZUAARDMSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435240 464583542 /nfs/dbraw/zinc/58/35/42/464583542.db2.gz NCUNLNFCWDHHLC-AZUAARDMSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@H]21 ZINC000246435240 464583545 /nfs/dbraw/zinc/58/35/45/464583545.db2.gz NCUNLNFCWDHHLC-AZUAARDMSA-N 2 1 329.488 2.439 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(O)cc1C ZINC000768466311 577556485 /nfs/dbraw/zinc/55/64/85/577556485.db2.gz YMILOJYCPOTOTA-FUHWJXTLSA-N 2 1 347.503 2.167 20 10 EECDMP COc1cccc(C[N@H+]2CCC[C@@]3(CCN(CC[NH+](C)C)C3)C2)c1O ZINC001275270163 1205295153 /nfs/dbraw/zinc/29/51/53/1205295153.db2.gz FYIJWFCZXFWERN-FQEVSTJZSA-N 2 1 347.503 2.250 20 10 EECDMP C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccc(O)cc3O)C2)C1 ZINC001275952598 1205600341 /nfs/dbraw/zinc/60/03/41/1205600341.db2.gz IRVHKXVGISCVHU-FQEVSTJZSA-N 2 1 347.503 2.337 20 10 EECDMP Oc1cccc(F)c1C[NH+]1CCC2(C[NH+](CCn3ccnc3)C2)CC1 ZINC001276359061 1213931903 /nfs/dbraw/zinc/93/19/03/1213931903.db2.gz FKVIJDXYXKROHE-UHFFFAOYSA-N 2 1 344.434 2.326 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001211284873 1295799372 /nfs/dbraw/zinc/79/93/72/1295799372.db2.gz OGCPSELFEGGAAL-GOSISDBHSA-N 2 1 347.503 2.424 20 10 EECDMP CC1CCN(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863552765 1296332145 /nfs/dbraw/zinc/33/21/45/1296332145.db2.gz PKKGDOKWBMASHN-FQEVSTJZSA-N 2 1 331.504 2.469 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CCO4)C3)c(F)c2)CC1 ZINC001236939512 1305739727 /nfs/dbraw/zinc/73/97/27/1305739727.db2.gz RTDLXOLHLPXDCI-IBGZPJMESA-N 2 1 333.451 2.332 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3C[C@@H]4CCC[N@@H+](C)[C@@H]4C3)c(F)c2)CC1 ZINC001236948897 1305742372 /nfs/dbraw/zinc/74/23/72/1305742372.db2.gz YDKSAIUAPOZVHV-FXAWDEMLSA-N 2 1 346.494 2.104 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237386879 1305913506 /nfs/dbraw/zinc/91/35/06/1305913506.db2.gz BAHRYIZDUPJNKG-ICSRJNTNSA-N 3 1 328.504 2.012 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[C@@H]4[NH2+]CCC[C@H]4C3)cc2)CC1 ZINC001237386879 1305913512 /nfs/dbraw/zinc/91/35/12/1305913512.db2.gz BAHRYIZDUPJNKG-ICSRJNTNSA-N 2 1 328.504 2.012 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC[C@@](O)(CF)C3)cc2)CC1 ZINC001139409291 1314740724 /nfs/dbraw/zinc/74/07/24/1314740724.db2.gz ZPFBYOOQAPMZNW-LJQANCHMSA-N 2 1 335.467 2.125 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)C3CCN(C)CC3)cc2)CC1 ZINC001140299742 1314858707 /nfs/dbraw/zinc/85/87/07/1314858707.db2.gz DVSHJKBRWQXUHA-UHFFFAOYSA-N 2 1 330.520 2.355 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@](C)(O)[C@@H](F)C3)cc2)CC1 ZINC001140301820 1314860423 /nfs/dbraw/zinc/86/04/23/1314860423.db2.gz AKHOAMHZGJSFIW-RBUKOAKNSA-N 2 1 335.467 2.123 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](C)(O)[C@@H](F)C3)cc2)CC1 ZINC001140301820 1314860430 /nfs/dbraw/zinc/86/04/30/1314860430.db2.gz AKHOAMHZGJSFIW-RBUKOAKNSA-N 2 1 335.467 2.123 20 10 EECDMP COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000840975719 1315449369 /nfs/dbraw/zinc/44/93/69/1315449369.db2.gz QIFNFLIKPIFRKD-FQEVSTJZSA-N 2 1 345.487 2.214 20 10 EECDMP CCOC(=O)c1c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c2ccccc2n1C ZINC001205145886 1322297778 /nfs/dbraw/zinc/29/77/78/1322297778.db2.gz LLCWVWMWQLMYQW-UONOGXRCSA-N 2 1 329.444 2.382 20 10 EECDMP CC(C)[C@H](O)C1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001116478814 1371727488 /nfs/dbraw/zinc/72/74/88/1371727488.db2.gz VMVKPCAUSLMLMS-IBGZPJMESA-N 2 1 349.494 2.464 20 10 EECDMP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000832280833 1372423009 /nfs/dbraw/zinc/42/30/09/1372423009.db2.gz QZWIKDQRNPDJKO-MOPGFXCFSA-N 2 1 340.471 2.172 20 10 EECDMP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809696959 783283232 /nfs/dbraw/zinc/28/32/32/783283232.db2.gz AXWLFGAVDMNBHD-GBMAXXPESA-N 2 1 341.499 2.294 20 10 EECDMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765208 783370326 /nfs/dbraw/zinc/37/03/26/783370326.db2.gz LJXZUUGRXCLWBL-PXNSSMCTSA-N 2 1 330.520 2.210 20 10 EECDMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765208 783370339 /nfs/dbraw/zinc/37/03/39/783370339.db2.gz LJXZUUGRXCLWBL-PXNSSMCTSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765208 783370349 /nfs/dbraw/zinc/37/03/49/783370349.db2.gz LJXZUUGRXCLWBL-PXNSSMCTSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765208 783370360 /nfs/dbraw/zinc/37/03/60/783370360.db2.gz LJXZUUGRXCLWBL-PXNSSMCTSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765208 783370370 /nfs/dbraw/zinc/37/03/70/783370370.db2.gz LJXZUUGRXCLWBL-PXNSSMCTSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@H]1CN(Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[N@H+](C2CC2)C1 ZINC000824445481 788173860 /nfs/dbraw/zinc/17/38/60/788173860.db2.gz ASWBRRPJDIUKLR-SFHVURJKSA-N 2 1 342.531 2.355 20 10 EECDMP C[C@@H]1CN(C2CC2)CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824445481 788173865 /nfs/dbraw/zinc/17/38/65/788173865.db2.gz ASWBRRPJDIUKLR-SFHVURJKSA-N 2 1 342.531 2.355 20 10 EECDMP C[C@@H]1CN(C2CC2)CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000824445481 788173869 /nfs/dbraw/zinc/17/38/69/788173869.db2.gz ASWBRRPJDIUKLR-SFHVURJKSA-N 2 1 342.531 2.355 20 10 EECDMP CN(C)c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000289460414 464080287 /nfs/dbraw/zinc/08/02/87/464080287.db2.gz OGVSGEGZLOZMGZ-UHFFFAOYSA-N 2 1 336.499 2.350 20 10 EECDMP COc1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000765791512 577507299 /nfs/dbraw/zinc/50/72/99/577507299.db2.gz LUJUQRVVTFMNDH-UYAOXDASSA-N 2 1 345.487 2.117 20 10 EECDMP COc1ccc(N2CCC([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000765791512 577507300 /nfs/dbraw/zinc/50/73/00/577507300.db2.gz LUJUQRVVTFMNDH-UYAOXDASSA-N 2 1 345.487 2.117 20 10 EECDMP CN(C)c1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000891246883 676240264 /nfs/dbraw/zinc/24/02/64/676240264.db2.gz QRAKYHKBFJRKOU-ZWKOTPCHSA-N 2 1 346.519 2.344 20 10 EECDMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000128067200 693145452 /nfs/dbraw/zinc/14/54/52/693145452.db2.gz JLGFAKCAABLLJK-HKUYNNGSSA-N 2 1 346.519 2.381 20 10 EECDMP COc1ccc(C[NH+]2CCC3(CC[N@@H+](CCN(C)C)C3)CC2)c(O)c1 ZINC001275275347 1205295321 /nfs/dbraw/zinc/29/53/21/1205295321.db2.gz HSNYGKQSZPHVKA-UHFFFAOYSA-N 2 1 347.503 2.250 20 10 EECDMP COc1ccc(C[NH+]2CCC3(CCN(CC[NH+](C)C)C3)CC2)c(O)c1 ZINC001275275347 1205295323 /nfs/dbraw/zinc/29/53/23/1205295323.db2.gz HSNYGKQSZPHVKA-UHFFFAOYSA-N 2 1 347.503 2.250 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)cc1C ZINC001019381258 1229051042 /nfs/dbraw/zinc/05/10/42/1229051042.db2.gz CTYAPOUGKIZNFP-AEFFLSMTSA-N 2 1 345.487 2.178 20 10 EECDMP OC1CCN(c2ccc(C[N@@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243873 1299434963 /nfs/dbraw/zinc/43/49/63/1299434963.db2.gz QHGOTCHXBLOSNF-HXUWFJFHSA-N 2 1 329.488 2.366 20 10 EECDMP OC1CCN(c2ccc(C[N@H+]3CCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001222243873 1299434968 /nfs/dbraw/zinc/43/49/68/1299434968.db2.gz QHGOTCHXBLOSNF-HXUWFJFHSA-N 2 1 329.488 2.366 20 10 EECDMP COc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)cc(C[NH+](C)C)c1O ZINC001276861225 1299968587 /nfs/dbraw/zinc/96/85/87/1299968587.db2.gz OKDBDDWWUUDHFJ-UHFFFAOYSA-N 3 1 347.503 2.380 20 10 EECDMP COc1cc(CN2CCC3(CC[N@H+](C)C3)CC2)cc(C[NH+](C)C)c1O ZINC001276861225 1299968593 /nfs/dbraw/zinc/96/85/93/1299968593.db2.gz OKDBDDWWUUDHFJ-UHFFFAOYSA-N 2 1 347.503 2.380 20 10 EECDMP COc1cc(CN2CCC3(CC[N@@H+](C)C3)CC2)cc(C[NH+](C)C)c1O ZINC001276861225 1299968596 /nfs/dbraw/zinc/96/85/96/1299968596.db2.gz OKDBDDWWUUDHFJ-UHFFFAOYSA-N 2 1 347.503 2.380 20 10 EECDMP c1c(C[N@H+]2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001235039469 1305094830 /nfs/dbraw/zinc/09/48/30/1305094830.db2.gz ZTHKJUDZOMGQDX-WOJBJXKFSA-N 2 1 341.499 2.196 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(O)CC3)c(F)c2)CC1 ZINC001236933712 1305735095 /nfs/dbraw/zinc/73/50/95/1305735095.db2.gz ZUADFYYVBNYBFO-LJQANCHMSA-N 2 1 335.467 2.314 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+](C)Cc3cnn(C)c3)cc2)CC1 ZINC001140301052 1314858580 /nfs/dbraw/zinc/85/85/80/1314858580.db2.gz XDDLENPTPRJBKV-UHFFFAOYSA-N 2 1 327.476 2.194 20 10 EECDMP COc1c(O)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000843128291 1315850063 /nfs/dbraw/zinc/85/00/63/1315850063.db2.gz VQVFYENXRIPWDL-ZDUSSCGKSA-N 2 1 335.404 2.131 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205617263 1323217840 /nfs/dbraw/zinc/21/78/40/1323217840.db2.gz IQHJZISDLNITDI-ZBFHGGJFSA-N 3 1 335.492 2.269 20 10 EECDMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)cc(C[NH+](C)C)c1O ZINC001205617258 1323218073 /nfs/dbraw/zinc/21/80/73/1323218073.db2.gz IQHJZISDLNITDI-GOEBONIOSA-N 3 1 335.492 2.269 20 10 EECDMP COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320709488 1332938761 /nfs/dbraw/zinc/93/87/61/1332938761.db2.gz UDYVWAIAWYHERO-DOTOQJQBSA-N 2 1 349.450 2.009 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H](CO)CC3)cc2F)CC1 ZINC001323769337 1333535217 /nfs/dbraw/zinc/53/52/17/1333535217.db2.gz BRWJYPAKZYUGSG-WOVMCDHWSA-N 2 1 335.467 2.218 20 10 EECDMP C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324159131 1333621267 /nfs/dbraw/zinc/62/12/67/1333621267.db2.gz MWDFTMCCJXMHHF-HZPDHXFCSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324159131 1333621269 /nfs/dbraw/zinc/62/12/69/1333621269.db2.gz MWDFTMCCJXMHHF-HZPDHXFCSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116512632 1371728130 /nfs/dbraw/zinc/72/81/30/1371728130.db2.gz VTGFUOUSRPWEGP-DOTOQJQBSA-N 2 1 335.467 2.170 20 10 EECDMP C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001116512632 1371728135 /nfs/dbraw/zinc/72/81/35/1371728135.db2.gz VTGFUOUSRPWEGP-DOTOQJQBSA-N 2 1 335.467 2.170 20 10 EECDMP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2)CC1 ZINC000816549638 784112177 /nfs/dbraw/zinc/11/21/77/784112177.db2.gz UPLVUOZUGRXSPP-CYBMUJFWSA-N 2 1 341.858 2.443 20 10 EECDMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(N4CCOCC4)cc3)C2)C1 ZINC000816642780 784164642 /nfs/dbraw/zinc/16/46/42/784164642.db2.gz KRATTZVVLDIWQU-HXUWFJFHSA-N 2 1 329.488 2.441 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CCO)CC3)cc2)CC1 ZINC000817419806 784770106 /nfs/dbraw/zinc/77/01/06/784770106.db2.gz YGSWDCZZVZKGET-SFHVURJKSA-N 2 1 331.504 2.423 20 10 EECDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921650550 792627380 /nfs/dbraw/zinc/62/73/80/792627380.db2.gz IQAHWUJQQPYUMJ-SFHVURJKSA-N 2 1 345.487 2.044 20 10 EECDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921650550 792627386 /nfs/dbraw/zinc/62/73/86/792627386.db2.gz IQAHWUJQQPYUMJ-SFHVURJKSA-N 2 1 345.487 2.044 20 10 EECDMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921687094 794987381 /nfs/dbraw/zinc/98/73/81/794987381.db2.gz WXHACALCRMBARX-UHFFFAOYSA-N 2 1 331.504 2.375 20 10 EECDMP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)cc1C ZINC001180226604 800316483 /nfs/dbraw/zinc/31/64/83/800316483.db2.gz CMPYPYNZQWEMLG-WMZOPIPTSA-N 2 1 347.503 2.423 20 10 EECDMP C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370710817 466975527 /nfs/dbraw/zinc/97/55/27/466975527.db2.gz UUCKILJJHLBOCR-VQIMIIECSA-N 2 1 348.510 2.350 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370710817 466975529 /nfs/dbraw/zinc/97/55/29/466975529.db2.gz UUCKILJJHLBOCR-VQIMIIECSA-N 2 1 348.510 2.350 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374254139 467034744 /nfs/dbraw/zinc/03/47/44/467034744.db2.gz LBHQIOYJWUWOKZ-YLJYHZDGSA-N 2 1 330.520 2.210 20 10 EECDMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877058467 1199855420 /nfs/dbraw/zinc/85/54/20/1199855420.db2.gz IUWBJPFLFUIABS-FQEVSTJZSA-N 2 1 326.440 2.427 20 10 EECDMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(O)c1 ZINC000877058467 1199855424 /nfs/dbraw/zinc/85/54/24/1199855424.db2.gz IUWBJPFLFUIABS-FQEVSTJZSA-N 2 1 326.440 2.427 20 10 EECDMP Oc1ccccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275266759 1205294319 /nfs/dbraw/zinc/29/43/19/1205294319.db2.gz DQCUNGHIESUXKF-CALCHBBNSA-N 2 1 326.444 2.459 20 10 EECDMP Oc1ccccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275266759 1205294320 /nfs/dbraw/zinc/29/43/20/1205294320.db2.gz DQCUNGHIESUXKF-CALCHBBNSA-N 2 1 326.444 2.459 20 10 EECDMP Oc1ccccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275266759 1205294321 /nfs/dbraw/zinc/29/43/21/1205294321.db2.gz DQCUNGHIESUXKF-CALCHBBNSA-N 2 1 326.444 2.459 20 10 EECDMP CN(C)c1ccc(C[N@H+]2CCCC3(CN(CC[NH+](C)C)C3)C2)cc1 ZINC001275833169 1205555964 /nfs/dbraw/zinc/55/59/64/1205555964.db2.gz AQEOIUWOWDBXSQ-UHFFFAOYSA-N 2 1 330.520 2.212 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC001235244506 1305161401 /nfs/dbraw/zinc/16/14/01/1305161401.db2.gz GIKDIRVYJKQPBP-UYAOXDASSA-N 3 1 328.504 2.142 20 10 EECDMP C[N@H+]1C[C@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)[C@H]2C1 ZINC001236938141 1305736768 /nfs/dbraw/zinc/73/67/68/1305736768.db2.gz KAASYBBISIHQKR-XLIONFOSSA-N 2 1 346.494 2.104 20 10 EECDMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](O)C(C)C ZINC001117948263 1306225151 /nfs/dbraw/zinc/22/51/51/1306225151.db2.gz QMORAXDEZBDZIR-PKOBYXMFSA-N 2 1 337.483 2.463 20 10 EECDMP COc1cc(Br)cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843057047 1315831614 /nfs/dbraw/zinc/83/16/14/1315831614.db2.gz FRQLASCEMWXEFZ-UWVGGRQHSA-N 2 1 329.238 2.332 20 10 EECDMP COc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843057047 1315831617 /nfs/dbraw/zinc/83/16/17/1315831617.db2.gz FRQLASCEMWXEFZ-UWVGGRQHSA-N 2 1 329.238 2.332 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H]4CCCC(=O)[C@H]4C3)cc2)CC1 ZINC001139411221 1314740558 /nfs/dbraw/zinc/74/05/58/1314740558.db2.gz AJOXRLVWOZCYIX-HKUYNNGSSA-N 2 1 327.472 2.239 20 10 EECDMP CC(C)[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@@H]1C ZINC001139411604 1314740893 /nfs/dbraw/zinc/74/08/93/1314740893.db2.gz VBYBXTCIZNCQQY-SFHVURJKSA-N 2 1 330.520 2.353 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[NH+]3CCN(C4CC4)CC3)cc2)CC1 ZINC001140300087 1314858902 /nfs/dbraw/zinc/85/89/02/1314858902.db2.gz LXFSUZKUELPBSW-UHFFFAOYSA-N 2 1 328.504 2.109 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@]4(CCOC4)C3)cc2)CC1 ZINC001140301990 1314860511 /nfs/dbraw/zinc/86/05/11/1314860511.db2.gz GXVMTSCIFQAWQB-FQEVSTJZSA-N 2 1 329.488 2.441 20 10 EECDMP COC[C@]1(C[NH2+]Cc2cc(Br)ccc2O)CCC[NH2+]1 ZINC000841068306 1315467512 /nfs/dbraw/zinc/46/75/12/1315467512.db2.gz YUXRJNALDSJERC-CQSZACIVSA-N 2 1 329.238 2.013 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[NH2+]C4(CCC4)C3)cc2)CC1 ZINC000841090038 1315472163 /nfs/dbraw/zinc/47/21/63/1315472163.db2.gz TZTPULYWHJPEKS-SFHVURJKSA-N 2 1 328.504 2.203 20 10 EECDMP CCN(CC)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000843124463 1315849226 /nfs/dbraw/zinc/84/92/26/1315849226.db2.gz BMMXXRMDXXNMMK-KRWDZBQOSA-N 2 1 334.483 2.151 20 10 EECDMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001326221828 1334046231 /nfs/dbraw/zinc/04/62/31/1334046231.db2.gz KENPOFIMTAFQQV-NVXWUHKLSA-N 2 1 334.483 2.137 20 10 EECDMP COC[C@H]1CCC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337033512 1336634345 /nfs/dbraw/zinc/63/43/45/1336634345.db2.gz WPSANJKBICOSHX-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP COC[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C1 ZINC001337033512 1336634347 /nfs/dbraw/zinc/63/43/47/1336634347.db2.gz WPSANJKBICOSHX-KRWDZBQOSA-N 2 1 335.467 2.436 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C)(CO)CC3)cc2F)CC1 ZINC001342569214 1337318273 /nfs/dbraw/zinc/31/82/73/1337318273.db2.gz JSOLOWALPNWJDC-UHFFFAOYSA-N 2 1 335.467 2.172 20 10 EECDMP C[N@@H+](CCCn1ccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809753316 783361872 /nfs/dbraw/zinc/36/18/72/783361872.db2.gz QRTQVSLUSLTQSO-UHFFFAOYSA-N 2 1 327.476 2.157 20 10 EECDMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809755741 783363532 /nfs/dbraw/zinc/36/35/32/783363532.db2.gz BTSOSQNZPGDMIE-GOSISDBHSA-N 2 1 339.487 2.161 20 10 EECDMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765209 783370015 /nfs/dbraw/zinc/37/00/15/783370015.db2.gz LJXZUUGRXCLWBL-XLIONFOSSA-N 2 1 330.520 2.210 20 10 EECDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765209 783370018 /nfs/dbraw/zinc/37/00/18/783370018.db2.gz LJXZUUGRXCLWBL-XLIONFOSSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765209 783370029 /nfs/dbraw/zinc/37/00/29/783370029.db2.gz LJXZUUGRXCLWBL-XLIONFOSSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765209 783370040 /nfs/dbraw/zinc/37/00/40/783370040.db2.gz LJXZUUGRXCLWBL-XLIONFOSSA-N 3 1 330.520 2.210 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809765209 783370047 /nfs/dbraw/zinc/37/00/47/783370047.db2.gz LJXZUUGRXCLWBL-XLIONFOSSA-N 3 1 330.520 2.210 20 10 EECDMP COc1cccc(C[NH+]2CCC([N@H+](C)C3CCOCC3)CC2)c1O ZINC001203596582 802169760 /nfs/dbraw/zinc/16/97/60/802169760.db2.gz JRTPOSQKUSBISL-UHFFFAOYSA-N 2 1 334.460 2.476 20 10 EECDMP COc1cccc(C[NH+]2CCC([N@@H+](C)C3CCOCC3)CC2)c1O ZINC001203596582 802169765 /nfs/dbraw/zinc/16/97/65/802169765.db2.gz JRTPOSQKUSBISL-UHFFFAOYSA-N 2 1 334.460 2.476 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC001086327724 802750027 /nfs/dbraw/zinc/75/00/27/802750027.db2.gz OKLREMDWATWNSW-BZSNNMDCSA-N 2 1 345.487 2.082 20 10 EECDMP COc1c([O-])c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000278327940 463961477 /nfs/dbraw/zinc/96/14/77/463961477.db2.gz YWBANFXSSMHSHS-GFCCVEGCSA-N 2 1 332.360 2.412 20 10 EECDMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273600550 464721997 /nfs/dbraw/zinc/72/19/97/464721997.db2.gz RTTZTBHJTAWQPF-UKRRQHHQSA-N 2 1 338.448 2.186 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1C ZINC001022712312 678299259 /nfs/dbraw/zinc/29/92/59/678299259.db2.gz OVAPGRLCBTYWSR-RYQLBKOJSA-N 2 1 345.487 2.225 20 10 EECDMP C[C@H]([NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccc(N2CCOCC2)cc1 ZINC000925481512 1206117889 /nfs/dbraw/zinc/11/78/89/1206117889.db2.gz OGSRRGSCAZSEHJ-UYWHKNEXSA-N 2 1 327.472 2.170 20 10 EECDMP C[N@H+]1C[C@@H]2CCCN(Cc3ccc(N4CC[NH+](C)CC4)cc3F)[C@@H]2C1 ZINC001236938136 1305736727 /nfs/dbraw/zinc/73/67/27/1305736727.db2.gz KAASYBBISIHQKR-FXAWDEMLSA-N 2 1 346.494 2.104 20 10 EECDMP Oc1ccc(F)cc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140062874 1314806975 /nfs/dbraw/zinc/80/69/75/1314806975.db2.gz HGCRJQPGTDQFQZ-CALCHBBNSA-N 2 1 327.403 2.490 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCc4nn(C)cc4C3)cc2)CC1 ZINC001140304265 1314862058 /nfs/dbraw/zinc/86/20/58/1314862058.db2.gz LFSRLCWRYWTRMJ-UHFFFAOYSA-N 2 1 339.487 2.120 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCc4nn(C)cc4C3)cc2)CC1 ZINC001140304265 1314862063 /nfs/dbraw/zinc/86/20/63/1314862063.db2.gz LFSRLCWRYWTRMJ-UHFFFAOYSA-N 2 1 339.487 2.120 20 10 EECDMP C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320424899 1332880670 /nfs/dbraw/zinc/88/06/70/1332880670.db2.gz UENVBYPQEFWOJQ-HOTGVXAUSA-N 2 1 334.483 2.102 20 10 EECDMP C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001320424899 1332880672 /nfs/dbraw/zinc/88/06/72/1332880672.db2.gz UENVBYPQEFWOJQ-HOTGVXAUSA-N 2 1 334.483 2.102 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2F)CC1 ZINC001331418965 1335010505 /nfs/dbraw/zinc/01/05/05/1335010505.db2.gz MOXHDCYBIGGOSY-FUHWJXTLSA-N 3 1 334.483 2.185 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC001337065824 1336638693 /nfs/dbraw/zinc/63/86/93/1336638693.db2.gz UGOOLYNUZPGXMK-LPHOPBHVSA-N 2 1 335.467 2.170 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)C[C@@H]1CCC[C@@H]1O ZINC001337065824 1336638697 /nfs/dbraw/zinc/63/86/97/1336638697.db2.gz UGOOLYNUZPGXMK-LPHOPBHVSA-N 2 1 335.467 2.170 20 10 EECDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H]1C ZINC001755663767 1407714026 /nfs/dbraw/zinc/71/40/26/1407714026.db2.gz OCYVASZUOFVVMR-AEFFLSMTSA-N 2 1 347.503 2.424 20 10 EECDMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000785987179 806657683 /nfs/dbraw/zinc/65/76/83/806657683.db2.gz FHTZEQHQXGTYGE-FUHIMQAGSA-N 2 1 331.504 2.420 20 10 EECDMP COc1ccc(O)c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000185353009 463807904 /nfs/dbraw/zinc/80/79/04/463807904.db2.gz RSMJNRNTJPQDKG-HNNXBMFYSA-N 2 1 335.492 2.325 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)CC1CC[NH+](C)CC1 ZINC000775677181 577442543 /nfs/dbraw/zinc/44/25/43/577442543.db2.gz JWBMCNOZANFCBP-UHFFFAOYSA-N 3 1 330.520 2.212 20 10 EECDMP CN1CCN(c2ccc(C[N@H+](C)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000775677181 577442544 /nfs/dbraw/zinc/44/25/44/577442544.db2.gz JWBMCNOZANFCBP-UHFFFAOYSA-N 2 1 330.520 2.212 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+](C)CC3CC[NH+](C)CC3)cc2)CC1 ZINC000775677181 577442545 /nfs/dbraw/zinc/44/25/45/577442545.db2.gz JWBMCNOZANFCBP-UHFFFAOYSA-N 2 1 330.520 2.212 20 10 EECDMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1O ZINC000756550842 577846476 /nfs/dbraw/zinc/84/64/76/577846476.db2.gz SUNZXNTUCQHUIS-OLZOCXBDSA-N 2 1 339.867 2.284 20 10 EECDMP C[NH+](C)CCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3O)CC2)C1=O ZINC001272619502 1190933859 /nfs/dbraw/zinc/93/38/59/1190933859.db2.gz WLXOOGAEFKTXEK-HXUWFJFHSA-N 2 1 345.487 2.158 20 10 EECDMP Cc1c(O)ccc(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1O ZINC001276117861 1205782071 /nfs/dbraw/zinc/78/20/71/1205782071.db2.gz BWEVBUQPVCXIFW-UHFFFAOYSA-N 2 1 342.443 2.227 20 10 EECDMP c1cc(N2CCSCC2)ccc1C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925476466 1206117204 /nfs/dbraw/zinc/11/72/04/1206117204.db2.gz OKXKUGVYMSPOKP-WAARBJQMSA-N 2 1 329.513 2.326 20 10 EECDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000930601672 1206569432 /nfs/dbraw/zinc/56/94/32/1206569432.db2.gz JUXJFYXOMXNMTM-FQEVSTJZSA-N 2 1 329.488 2.441 20 10 EECDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000930601672 1206569434 /nfs/dbraw/zinc/56/94/34/1206569434.db2.gz JUXJFYXOMXNMTM-FQEVSTJZSA-N 2 1 329.488 2.441 20 10 EECDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001187321895 1279489321 /nfs/dbraw/zinc/48/93/21/1279489321.db2.gz HBSIQUDJFKDADY-QGZVFWFLSA-N 2 1 333.476 2.036 20 10 EECDMP COc1ccc2ccc(O)c(C[N@H+]3CCN[C@H]4CC[NH2+]CC[C@@H]43)c2c1 ZINC001222506986 1299644636 /nfs/dbraw/zinc/64/46/36/1299644636.db2.gz LBDDKQJNZSWLAM-OALUTQOASA-N 2 1 341.455 2.080 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cc2)CC1 ZINC001276876224 1300044632 /nfs/dbraw/zinc/04/46/32/1300044632.db2.gz SXJXUQYHHZQODZ-BGYRXZFFSA-N 3 1 342.531 2.212 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)cc2)CC1 ZINC001276876224 1300044651 /nfs/dbraw/zinc/04/46/51/1300044651.db2.gz SXJXUQYHHZQODZ-BGYRXZFFSA-N 3 1 342.531 2.212 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3C[C@@H]4CC[N@H+](C)CC[C@@H]4C3)cc2)CC1 ZINC001276876224 1300044663 /nfs/dbraw/zinc/04/46/63/1300044663.db2.gz SXJXUQYHHZQODZ-BGYRXZFFSA-N 3 1 342.531 2.212 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cc2)CC1 ZINC001276876224 1300044675 /nfs/dbraw/zinc/04/46/75/1300044675.db2.gz SXJXUQYHHZQODZ-BGYRXZFFSA-N 2 1 342.531 2.212 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3C[C@@H]4CC[NH+](C)CC[C@@H]4C3)cc2)CC1 ZINC001276876224 1300044688 /nfs/dbraw/zinc/04/46/88/1300044688.db2.gz SXJXUQYHHZQODZ-BGYRXZFFSA-N 2 1 342.531 2.212 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3C[C@@H]4CC[N@@H+](C)CC[C@@H]4C3)cc2)CC1 ZINC001276876224 1300044702 /nfs/dbraw/zinc/04/47/02/1300044702.db2.gz SXJXUQYHHZQODZ-BGYRXZFFSA-N 2 1 342.531 2.212 20 10 EECDMP CN1CCN(c2ccc(C[NH+]3C[C@@H]4CC[N@H+](C)CC[C@@H]4C3)cc2)CC1 ZINC001276876224 1300044714 /nfs/dbraw/zinc/04/47/14/1300044714.db2.gz SXJXUQYHHZQODZ-BGYRXZFFSA-N 2 1 342.531 2.212 20 10 EECDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(O)c1 ZINC001277420692 1302945799 /nfs/dbraw/zinc/94/57/99/1302945799.db2.gz FNIXPRIYPPMXIG-LJQANCHMSA-N 2 1 332.444 2.025 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(O)c1 ZINC001277420692 1302945803 /nfs/dbraw/zinc/94/58/03/1302945803.db2.gz FNIXPRIYPPMXIG-LJQANCHMSA-N 2 1 332.444 2.025 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589574 1303856996 /nfs/dbraw/zinc/85/69/96/1303856996.db2.gz LMDKVAFCFVYVCV-MRXNPFEDSA-N 2 1 341.455 2.188 20 10 EECDMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001231589574 1303857002 /nfs/dbraw/zinc/85/70/02/1303857002.db2.gz LMDKVAFCFVYVCV-MRXNPFEDSA-N 2 1 341.455 2.188 20 10 EECDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(C(F)(F)F)cc1O ZINC001233454695 1304470068 /nfs/dbraw/zinc/47/00/68/1304470068.db2.gz GEWLEVNZYYJIJJ-UHFFFAOYSA-N 2 1 331.382 2.090 20 10 EECDMP CCN(CC)c1ccc(C[N@@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001235005685 1305082892 /nfs/dbraw/zinc/08/28/92/1305082892.db2.gz DWVJWCGWVZQSCY-HXUWFJFHSA-N 2 1 347.503 2.440 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCOC[C@@]3(CCC[NH2+]C3)C2)c(O)c1 ZINC001235005685 1305082896 /nfs/dbraw/zinc/08/28/96/1305082896.db2.gz DWVJWCGWVZQSCY-HXUWFJFHSA-N 2 1 347.503 2.440 20 10 EECDMP CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001236070919 1305490243 /nfs/dbraw/zinc/49/02/43/1305490243.db2.gz CLDMRBKMJMLQHF-HXUWFJFHSA-N 2 1 345.487 2.261 20 10 EECDMP CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001116466351 1305887264 /nfs/dbraw/zinc/88/72/64/1305887264.db2.gz UJPPEUAOTKHRGT-LPHOPBHVSA-N 2 1 335.467 2.482 20 10 EECDMP CN(C)CCC[N@@H+](C)Cc1cccc(I)c1[O-] ZINC001237788202 1306092982 /nfs/dbraw/zinc/09/29/82/1306092982.db2.gz WQYSRNDEHCOTBT-UHFFFAOYSA-N 2 1 348.228 2.380 20 10 EECDMP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](O)C(C)C ZINC001117948260 1306225385 /nfs/dbraw/zinc/22/53/85/1306225385.db2.gz QMORAXDEZBDZIR-HKUYNNGSSA-N 2 1 337.483 2.463 20 10 EECDMP CC[N@@H+](CCn1cccn1)Cc1cc(C[NH+](C)C)c(O)c(OC)c1 ZINC001139257392 1314722201 /nfs/dbraw/zinc/72/22/01/1314722201.db2.gz AVBGQXDUYQZQPI-UHFFFAOYSA-N 2 1 332.448 2.181 20 10 EECDMP CN1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C2(CCCC2)C1 ZINC001139411570 1314740937 /nfs/dbraw/zinc/74/09/37/1314740937.db2.gz SRMJPJTXIMVEJC-UHFFFAOYSA-N 2 1 342.531 2.499 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+](C)CC34CCCC4)cc2)CC1 ZINC001139411570 1314740939 /nfs/dbraw/zinc/74/09/39/1314740939.db2.gz SRMJPJTXIMVEJC-UHFFFAOYSA-N 2 1 342.531 2.499 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)CC34CCCC4)cc2)CC1 ZINC001139411570 1314740941 /nfs/dbraw/zinc/74/09/41/1314740941.db2.gz SRMJPJTXIMVEJC-UHFFFAOYSA-N 2 1 342.531 2.499 20 10 EECDMP COC(=O)c1c(C[N@@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc2n1C ZINC001206187554 1323419600 /nfs/dbraw/zinc/41/96/00/1323419600.db2.gz UGMBBICPYBPWFK-HUUCEWRRSA-N 2 1 333.407 2.226 20 10 EECDMP COC(=O)c1c(C[N@H+]2CC[C@@H]([NH3+])[C@H](F)CC2)c2ccccc2n1C ZINC001206187554 1323419624 /nfs/dbraw/zinc/41/96/24/1323419624.db2.gz UGMBBICPYBPWFK-HUUCEWRRSA-N 2 1 333.407 2.226 20 10 EECDMP C[NH+](C)[C@H]1CCCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001321147048 1333031174 /nfs/dbraw/zinc/03/11/74/1333031174.db2.gz AFCWLUAKGORCBR-SFHVURJKSA-N 2 1 348.510 2.494 20 10 EECDMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001326992024 1334198570 /nfs/dbraw/zinc/19/85/70/1334198570.db2.gz WTMYXKWNKWUFDK-OAHLLOKOSA-N 3 1 334.483 2.137 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)CC1 ZINC001328411703 1334455817 /nfs/dbraw/zinc/45/58/17/1334455817.db2.gz IHZBKCCQEJUGOW-UHFFFAOYSA-N 2 1 342.531 2.404 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)CC1 ZINC001328411703 1334455823 /nfs/dbraw/zinc/45/58/23/1334455823.db2.gz IHZBKCCQEJUGOW-UHFFFAOYSA-N 2 1 342.531 2.404 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCCC4(CC[NH2+]CC4)C3)cc2)CC1 ZINC001328411703 1334455825 /nfs/dbraw/zinc/45/58/25/1334455825.db2.gz IHZBKCCQEJUGOW-UHFFFAOYSA-N 2 1 342.531 2.404 20 10 EECDMP CCc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000848890706 1338794638 /nfs/dbraw/zinc/79/46/38/1338794638.db2.gz UDUKJSDYECDTEN-LPHOPBHVSA-N 2 1 331.504 2.412 20 10 EECDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccc3O)CC2)CC1 ZINC000816911834 784354978 /nfs/dbraw/zinc/35/49/78/784354978.db2.gz AFFJBOBRWARCKS-UHFFFAOYSA-N 2 1 345.487 2.205 20 10 EECDMP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1O ZINC000817936528 785080796 /nfs/dbraw/zinc/08/07/96/785080796.db2.gz PGTBWNZZXXVWOQ-LBPRGKRZSA-N 2 1 331.382 2.357 20 10 EECDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001183765171 801727245 /nfs/dbraw/zinc/72/72/45/801727245.db2.gz OSRFUEVFKZJTFR-QGZVFWFLSA-N 2 1 347.503 2.424 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)CC[C@H]2CCC[N@H+]2C)cc1C ZINC001129840376 811013241 /nfs/dbraw/zinc/01/32/41/811013241.db2.gz FUPHQPRTTVLTPL-QGZVFWFLSA-N 2 1 333.476 2.084 20 10 EECDMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000185014543 463737012 /nfs/dbraw/zinc/73/70/12/463737012.db2.gz JMLCOVSUOBQEMU-MRXNPFEDSA-N 2 1 335.492 2.469 20 10 EECDMP CCOc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377620488 467098796 /nfs/dbraw/zinc/09/87/96/467098796.db2.gz DQORRBPGZZRIGJ-GOSISDBHSA-N 2 1 347.503 2.391 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+]4CCCC[C@H]4C3)cc2)CC1 ZINC000775664951 577442153 /nfs/dbraw/zinc/44/21/53/577442153.db2.gz FIPNZQWYHMUPBR-FQEVSTJZSA-N 2 1 328.504 2.109 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCN4CCCC[C@H]4C3)cc2)CC1 ZINC000775664951 577442154 /nfs/dbraw/zinc/44/21/54/577442154.db2.gz FIPNZQWYHMUPBR-FQEVSTJZSA-N 2 1 328.504 2.109 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCN4CCCC[C@H]4C3)cc2)CC1 ZINC000775664951 577442155 /nfs/dbraw/zinc/44/21/55/577442155.db2.gz FIPNZQWYHMUPBR-FQEVSTJZSA-N 2 1 328.504 2.109 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](n4ccnc4)C3)cc2)CC1 ZINC000775674444 577442454 /nfs/dbraw/zinc/44/24/54/577442454.db2.gz BGUSYVVCNUWOFS-HXUWFJFHSA-N 2 1 339.487 2.472 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1C ZINC001022292813 676800199 /nfs/dbraw/zinc/80/01/99/676800199.db2.gz QRTJSVVBWQOEGN-FGTMMUONSA-N 2 1 345.487 2.225 20 10 EECDMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877585792 1199973255 /nfs/dbraw/zinc/97/32/55/1199973255.db2.gz WYXAOKAXXQXTPA-GOSISDBHSA-N 2 1 331.504 2.469 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000812780953 1200912057 /nfs/dbraw/zinc/91/20/57/1200912057.db2.gz XLIFZYCGWVLYPK-IBGZPJMESA-N 2 1 325.460 2.082 20 10 EECDMP Cc1cc(C)c(C[N@@H+]2CCC[C@@]23CCN(CC[NH+](C)C)C3=O)c(O)c1 ZINC001274214406 1204467292 /nfs/dbraw/zinc/46/72/92/1204467292.db2.gz XAIFTZWMEHHXSU-FQEVSTJZSA-N 2 1 345.487 2.138 20 10 EECDMP CCc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3CC[NH+](C)C)c(O)c1 ZINC001274652650 1205116589 /nfs/dbraw/zinc/11/65/89/1205116589.db2.gz BOPRFUJQDPLFLY-QZTJIDSGSA-N 2 1 345.487 2.082 20 10 EECDMP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(O)c(C(C)(C)C)c1 ZINC000850072121 1277017484 /nfs/dbraw/zinc/01/74/84/1277017484.db2.gz LGYKDDIPZUMAHE-OAHLLOKOSA-N 2 1 336.476 2.245 20 10 EECDMP COc1cc(O)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000863646456 1296364023 /nfs/dbraw/zinc/36/40/23/1296364023.db2.gz UJZSYJTYQHDEHK-NEPJUHHUSA-N 2 1 348.365 2.369 20 10 EECDMP COc1cc(O)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000863646456 1296364037 /nfs/dbraw/zinc/36/40/37/1296364037.db2.gz UJZSYJTYQHDEHK-NEPJUHHUSA-N 2 1 348.365 2.369 20 10 EECDMP [NH3+]CCSC[C@H]([NH3+])c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217743609 1297503806 /nfs/dbraw/zinc/50/38/06/1297503806.db2.gz WDLXFWYUDVHLNA-AWEZNQCLSA-N 2 1 329.429 2.219 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](C)(O)CC3)c(F)c2)CC1 ZINC001236933708 1305735406 /nfs/dbraw/zinc/73/54/06/1305735406.db2.gz ZUADFYYVBNYBFO-IBGZPJMESA-N 2 1 335.467 2.314 20 10 EECDMP C[N@@H+](C1CC1)[C@H]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410862 1314740945 /nfs/dbraw/zinc/74/09/45/1314740945.db2.gz ITBLWDLAGOAKCF-FQEVSTJZSA-N 2 1 328.504 2.107 20 10 EECDMP CN(C1CC1)[C@H]1CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410862 1314740947 /nfs/dbraw/zinc/74/09/47/1314740947.db2.gz ITBLWDLAGOAKCF-FQEVSTJZSA-N 2 1 328.504 2.107 20 10 EECDMP CN(C1CC1)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC001139410862 1314740948 /nfs/dbraw/zinc/74/09/48/1314740948.db2.gz ITBLWDLAGOAKCF-FQEVSTJZSA-N 2 1 328.504 2.107 20 10 EECDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001159334874 1319745905 /nfs/dbraw/zinc/74/59/05/1319745905.db2.gz KUWRRBAUABLEMA-SFHVURJKSA-N 2 1 347.503 2.474 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205618022 1323217377 /nfs/dbraw/zinc/21/73/77/1323217377.db2.gz QRKUNJHHEYKLCO-HKUYNNGSSA-N 3 1 330.520 2.245 20 10 EECDMP C[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205618022 1323217387 /nfs/dbraw/zinc/21/73/87/1323217387.db2.gz QRKUNJHHEYKLCO-HKUYNNGSSA-N 2 1 330.520 2.245 20 10 EECDMP C[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC[C@H]1C[NH3+] ZINC001205618022 1323217395 /nfs/dbraw/zinc/21/73/95/1323217395.db2.gz QRKUNJHHEYKLCO-HKUYNNGSSA-N 2 1 330.520 2.245 20 10 EECDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1F ZINC001206185642 1323418483 /nfs/dbraw/zinc/41/84/83/1323418483.db2.gz OOEGJYIJNLFZSR-HZPDHXFCSA-N 2 1 341.858 2.438 20 10 EECDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)CC[C@H]1F ZINC001206185642 1323418485 /nfs/dbraw/zinc/41/84/85/1323418485.db2.gz OOEGJYIJNLFZSR-HZPDHXFCSA-N 2 1 341.858 2.438 20 10 EECDMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)cc1C ZINC001319132589 1332654177 /nfs/dbraw/zinc/65/41/77/1332654177.db2.gz QXWUCOORPVZTJO-GOSISDBHSA-N 2 1 347.503 2.424 20 10 EECDMP CN(CC[NH+]1CCCCC1)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328726442 1334508995 /nfs/dbraw/zinc/50/89/95/1334508995.db2.gz HYEMSVLKFMOIKT-UHFFFAOYSA-N 2 1 348.510 2.495 20 10 EECDMP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(OC)c1 ZINC001141031582 1372744899 /nfs/dbraw/zinc/74/48/99/1372744899.db2.gz IDGFQHVDKHLASJ-UHFFFAOYSA-N 2 1 329.400 2.127 20 10 EECDMP COc1cc(O)c(C[NH+]2CCN(c3cc[nH+]cc3C)CC2)c(OC)c1 ZINC001141032481 1372745794 /nfs/dbraw/zinc/74/57/94/1372745794.db2.gz FBTTVXBKWLVLHB-UHFFFAOYSA-N 2 1 343.427 2.435 20 10 EECDMP Cc1c[nH+]c2n1CCC21CC[NH+](Cc2c(O)cc(O)cc2O)CC1 ZINC001144509669 789910456 /nfs/dbraw/zinc/91/04/56/789910456.db2.gz HLCZDNOVYQNIDD-UHFFFAOYSA-N 2 1 329.400 2.246 20 10 EECDMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043298 530064551 /nfs/dbraw/zinc/06/45/51/530064551.db2.gz NCUNLNFCWDHHLC-ICSRJNTNSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043298 530064552 /nfs/dbraw/zinc/06/45/52/530064552.db2.gz NCUNLNFCWDHHLC-ICSRJNTNSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CC[C@@H]21 ZINC000092043298 530064553 /nfs/dbraw/zinc/06/45/53/530064553.db2.gz NCUNLNFCWDHHLC-ICSRJNTNSA-N 2 1 329.488 2.439 20 10 EECDMP COc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000377622029 467098642 /nfs/dbraw/zinc/09/86/42/467098642.db2.gz GROPTZPSDQFMGY-QGZVFWFLSA-N 2 1 333.476 2.001 20 10 EECDMP Oc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)[C@H](O)CO2 ZINC000768466131 577556544 /nfs/dbraw/zinc/55/65/44/577556544.db2.gz MPLOORZIJUGFMG-RDTXWAMCSA-N 2 1 332.444 2.126 20 10 EECDMP Oc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)[C@H](O)CO2 ZINC000768466131 577556545 /nfs/dbraw/zinc/55/65/45/577556545.db2.gz MPLOORZIJUGFMG-RDTXWAMCSA-N 2 1 332.444 2.126 20 10 EECDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000762482923 577701938 /nfs/dbraw/zinc/70/19/38/577701938.db2.gz NIJCZOZPNNLFBR-SFHVURJKSA-N 2 1 347.503 2.114 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1O ZINC000895192862 684273229 /nfs/dbraw/zinc/27/32/29/684273229.db2.gz OTNONJBXPWZYOO-KRWDZBQOSA-N 2 1 334.460 2.396 20 10 EECDMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000873031321 1198478722 /nfs/dbraw/zinc/47/87/22/1198478722.db2.gz QRQMEFCJACMTNZ-UHFFFAOYSA-N 2 1 325.416 2.235 20 10 EECDMP COc1ccc(N2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)c(OC)c1 ZINC000879461348 1201080100 /nfs/dbraw/zinc/08/01/00/1201080100.db2.gz AYZSGMDHIZXSTN-INIZCTEOSA-N 2 1 333.476 2.310 20 10 EECDMP Cn1ncc(Cl)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283599 1202040168 /nfs/dbraw/zinc/04/01/68/1202040168.db2.gz LLPZUFBACXUXGM-UHFFFAOYSA-N 2 1 333.867 2.115 20 10 EECDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)[C@@H]2C1 ZINC001275960595 1205604162 /nfs/dbraw/zinc/60/41/62/1205604162.db2.gz XIATWAPLXZKHDJ-PZJWPPBQSA-N 2 1 342.531 2.355 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[N@H+]1CCCC[C@H]1C1CC[NH2+]CC1 ZINC001235152524 1305129803 /nfs/dbraw/zinc/12/98/03/1305129803.db2.gz GIGKZIVIKWILMM-NRFANRHFSA-N 3 1 342.531 2.450 20 10 EECDMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000858246153 1294059737 /nfs/dbraw/zinc/05/97/37/1294059737.db2.gz WFLKORWFLWMQQL-QGZVFWFLSA-N 2 1 335.467 2.484 20 10 EECDMP [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)C1 ZINC001236073172 1305492840 /nfs/dbraw/zinc/49/28/40/1305492840.db2.gz LPIPGALHVREXKY-FQEVSTJZSA-N 2 1 328.504 2.284 20 10 EECDMP CC(C)[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)C[C@@H]1C ZINC001236947404 1305742124 /nfs/dbraw/zinc/74/21/24/1305742124.db2.gz RNOXONVABWXMOC-KRWDZBQOSA-N 2 1 348.510 2.492 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@]4(CCC(=O)O4)C3)cc2)CC1 ZINC001139411064 1314740771 /nfs/dbraw/zinc/74/07/71/1314740771.db2.gz SSMVTIPGHIGXHV-FQEVSTJZSA-N 2 1 343.471 2.110 20 10 EECDMP CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410976 1314740916 /nfs/dbraw/zinc/74/09/16/1314740916.db2.gz OFCWUUHPNVJVSC-LPHOPBHVSA-N 2 1 347.503 2.458 20 10 EECDMP CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139410976 1314740919 /nfs/dbraw/zinc/74/09/19/1314740919.db2.gz OFCWUUHPNVJVSC-LPHOPBHVSA-N 2 1 347.503 2.458 20 10 EECDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC000841300501 1315525303 /nfs/dbraw/zinc/52/53/03/1315525303.db2.gz QPSLKYMPZCPKTN-KRWDZBQOSA-N 2 1 333.480 2.149 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124797 1315848262 /nfs/dbraw/zinc/84/82/62/1315848262.db2.gz GUKUPZZCFQMJPS-VQTJNVASSA-N 3 1 342.531 2.260 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124797 1315848266 /nfs/dbraw/zinc/84/82/66/1315848266.db2.gz GUKUPZZCFQMJPS-VQTJNVASSA-N 2 1 342.531 2.260 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)CC1 ZINC000843124797 1315848268 /nfs/dbraw/zinc/84/82/68/1315848268.db2.gz GUKUPZZCFQMJPS-VQTJNVASSA-N 2 1 342.531 2.260 20 10 EECDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cn1cccn1 ZINC001318418973 1332529693 /nfs/dbraw/zinc/52/96/93/1332529693.db2.gz NUXKSPVYNHFDML-INIZCTEOSA-N 2 1 345.466 2.200 20 10 EECDMP CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001323275261 1333428909 /nfs/dbraw/zinc/42/89/09/1333428909.db2.gz SDUKVASGNVWEEU-WBVHZDCISA-N 2 1 337.483 2.464 20 10 EECDMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001326236468 1334049516 /nfs/dbraw/zinc/04/95/16/1334049516.db2.gz JMBMFKRGZODLFH-LJQANCHMSA-N 2 1 344.503 2.106 20 10 EECDMP CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780903919 1371175084 /nfs/dbraw/zinc/17/50/84/1371175084.db2.gz VOQOEBUITCUODC-HXUWFJFHSA-N 2 1 330.520 2.210 20 10 EECDMP CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780903919 1371175088 /nfs/dbraw/zinc/17/50/88/1371175088.db2.gz VOQOEBUITCUODC-HXUWFJFHSA-N 2 1 330.520 2.210 20 10 EECDMP CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000780903919 1371175094 /nfs/dbraw/zinc/17/50/94/1371175094.db2.gz VOQOEBUITCUODC-HXUWFJFHSA-N 2 1 330.520 2.210 20 10 EECDMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140179102 1372546265 /nfs/dbraw/zinc/54/62/65/1372546265.db2.gz CBHFALUIDCDILZ-UHFFFAOYSA-N 2 1 345.487 2.185 20 10 EECDMP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1c(C)ccc(C)c1O)CC2 ZINC001140179102 1372546268 /nfs/dbraw/zinc/54/62/68/1372546268.db2.gz CBHFALUIDCDILZ-UHFFFAOYSA-N 2 1 345.487 2.185 20 10 EECDMP O=C1CC[C@@H]2C[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)CCN12 ZINC001172164319 796908907 /nfs/dbraw/zinc/90/89/07/796908907.db2.gz ZFGWZKJWPZNZIC-ZWKOTPCHSA-N 2 1 343.471 2.100 20 10 EECDMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c(O)c1 ZINC000756562343 577846818 /nfs/dbraw/zinc/84/68/18/577846818.db2.gz JZKXDCQSTCKICA-HNNXBMFYSA-N 2 1 333.476 2.294 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC000970484478 675928004 /nfs/dbraw/zinc/92/80/04/675928004.db2.gz TVJYIXWHFURRKW-QZTJIDSGSA-N 2 1 345.487 2.036 20 10 EECDMP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC[N@H+]1C ZINC000891248394 676242475 /nfs/dbraw/zinc/24/24/75/676242475.db2.gz LIZUOVSYNIXGFR-IEZWGBDMSA-N 2 1 346.519 2.202 20 10 EECDMP COc1cc(Cl)cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1O ZINC000894378240 682726620 /nfs/dbraw/zinc/72/66/20/682726620.db2.gz QGVHULLSDBGNRR-UHFFFAOYSA-N 2 1 341.883 2.171 20 10 EECDMP CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231844267 1303928739 /nfs/dbraw/zinc/92/87/39/1303928739.db2.gz KETZYAGSFHCPOA-UHFFFAOYSA-N 2 1 345.487 2.185 20 10 EECDMP CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1c(C)cc(C)cc1O)CC2 ZINC001231844267 1303928744 /nfs/dbraw/zinc/92/87/44/1303928744.db2.gz KETZYAGSFHCPOA-UHFFFAOYSA-N 2 1 345.487 2.185 20 10 EECDMP COC(=O)[C@H]1C[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC001236412300 1305574200 /nfs/dbraw/zinc/57/42/00/1305574200.db2.gz TUJDQQNLZMTJCY-OALUTQOASA-N 2 1 341.455 2.416 20 10 EECDMP COC(=O)[C@H]1C[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)CC[C@@H]1[NH3+] ZINC001236412300 1305574212 /nfs/dbraw/zinc/57/42/12/1305574212.db2.gz TUJDQQNLZMTJCY-OALUTQOASA-N 2 1 341.455 2.416 20 10 EECDMP OC1CCN(c2ccc(C[N@H+]3CC[C@H]4[NH2+]CCC[C@@H]4C3)cc2)CC1 ZINC001237391075 1305917072 /nfs/dbraw/zinc/91/70/72/1305917072.db2.gz JYFQSNBXYQLYII-YLJYHZDGSA-N 2 1 329.488 2.222 20 10 EECDMP CC(C)(C)[C@H]1C[C@H](NCc2ccc(N3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC001246176388 1310254014 /nfs/dbraw/zinc/25/40/14/1310254014.db2.gz XIRAOVAHXXTWEY-IEBWSBKVSA-N 2 1 330.520 2.353 20 10 EECDMP Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001204274418 1322100395 /nfs/dbraw/zinc/10/03/95/1322100395.db2.gz AJNRJTIMTSVJPT-FXAWDEMLSA-N 2 1 346.471 2.421 20 10 EECDMP Oc1ccc(C[N@H+]2C[C@@H]3C[NH+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001204274418 1322100400 /nfs/dbraw/zinc/10/04/00/1322100400.db2.gz AJNRJTIMTSVJPT-FXAWDEMLSA-N 2 1 346.471 2.421 20 10 EECDMP Oc1ccc(C[NH+]2C[C@@H]3C[N@H+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001204274418 1322100404 /nfs/dbraw/zinc/10/04/04/1322100404.db2.gz AJNRJTIMTSVJPT-FXAWDEMLSA-N 2 1 346.471 2.421 20 10 EECDMP Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+](CC4CCCC4)CCO[C@@H]3C2)c(O)c1 ZINC001204274418 1322100409 /nfs/dbraw/zinc/10/04/09/1322100409.db2.gz AJNRJTIMTSVJPT-FXAWDEMLSA-N 2 1 346.471 2.421 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC001308195407 1331571411 /nfs/dbraw/zinc/57/14/11/1331571411.db2.gz CFPIUMCYRFXVAA-GOSISDBHSA-N 3 1 328.504 2.012 20 10 EECDMP CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326187489 1334039274 /nfs/dbraw/zinc/03/92/74/1334039274.db2.gz GWFDNXKFSBYCMT-WBVHZDCISA-N 2 1 337.483 2.464 20 10 EECDMP Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)o1 ZINC001116476560 1371727313 /nfs/dbraw/zinc/72/73/13/1371727313.db2.gz PXTGPGQAMCJJEY-GOSISDBHSA-N 2 1 347.434 2.302 20 10 EECDMP CCN(CC)c1ccc(C[N@@H+](C)CCN2CC[NH+](C)CC2)c(OC)c1 ZINC001138388995 1372388743 /nfs/dbraw/zinc/38/87/43/1372388743.db2.gz DJCYXIJFNBDORR-UHFFFAOYSA-N 2 1 348.535 2.221 20 10 EECDMP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000817973751 785125139 /nfs/dbraw/zinc/12/51/39/785125139.db2.gz VYGAYCGBGQEJRU-HZMBPMFUSA-N 2 1 335.345 2.018 20 10 EECDMP C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000846226162 790093574 /nfs/dbraw/zinc/09/35/74/790093574.db2.gz JAWSYBLQIQSJFN-QFBILLFUSA-N 2 1 346.519 2.160 20 10 EECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@@H+]1C ZINC000151513146 463544674 /nfs/dbraw/zinc/54/46/74/463544674.db2.gz GRGQXLQCSGJDOW-HOCLYGCPSA-N 2 1 335.467 2.359 20 10 EECDMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC[N@H+]1C ZINC000151513146 463544678 /nfs/dbraw/zinc/54/46/78/463544678.db2.gz GRGQXLQCSGJDOW-HOCLYGCPSA-N 2 1 335.467 2.359 20 10 EECDMP COc1cc(C)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1O ZINC000763332808 577719250 /nfs/dbraw/zinc/71/92/50/577719250.db2.gz GMMNVFNHOMWGOR-WMZOPIPTSA-N 2 1 347.503 2.167 20 10 EECDMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(F)cc(F)c2O)ccn1 ZINC000883078592 1202007972 /nfs/dbraw/zinc/00/79/72/1202007972.db2.gz WRFDDTUKFOUAGD-UHFFFAOYSA-N 2 1 337.370 2.296 20 10 EECDMP Cc1c(O)ccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001276117845 1205781926 /nfs/dbraw/zinc/78/19/26/1205781926.db2.gz BGNGBZFZCDDSFM-CALCHBBNSA-N 2 1 347.503 2.112 20 10 EECDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001276117845 1205781927 /nfs/dbraw/zinc/78/19/27/1205781927.db2.gz BGNGBZFZCDDSFM-CALCHBBNSA-N 2 1 347.503 2.112 20 10 EECDMP Cc1c(O)ccc(C[N@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001276117845 1205781928 /nfs/dbraw/zinc/78/19/28/1205781928.db2.gz BGNGBZFZCDDSFM-CALCHBBNSA-N 2 1 347.503 2.112 20 10 EECDMP Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001276117845 1205781930 /nfs/dbraw/zinc/78/19/30/1205781930.db2.gz BGNGBZFZCDDSFM-CALCHBBNSA-N 2 1 347.503 2.112 20 10 EECDMP Cc1c(O)ccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001276117845 1205781932 /nfs/dbraw/zinc/78/19/32/1205781932.db2.gz BGNGBZFZCDDSFM-CALCHBBNSA-N 2 1 347.503 2.112 20 10 EECDMP CC[NH+]1CCN(c2ccc(O[C@@H]3C[C@@H]4CC(=O)C[C@H]3[N@H+]4C)cc2)CC1 ZINC001234657104 1305002580 /nfs/dbraw/zinc/00/25/80/1305002580.db2.gz BBCCYACXQUGQTJ-PWIZWCRZSA-N 2 1 343.471 2.012 20 10 EECDMP CCOC(=O)C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)C1CCCC1 ZINC001236435640 1305578486 /nfs/dbraw/zinc/57/84/86/1305578486.db2.gz DRHXNVMRZXYRDZ-UHFFFAOYSA-N 2 1 345.487 2.404 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H](CO)CC3)c(F)c2)CC1 ZINC001236930920 1305733386 /nfs/dbraw/zinc/73/33/86/1305733386.db2.gz HCORDBHTNUFAAC-INIZCTEOSA-N 2 1 335.467 2.172 20 10 EECDMP CC[N@@H+](CCn1cccn1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001139412893 1314741446 /nfs/dbraw/zinc/74/14/46/1314741446.db2.gz RCMBQYUJCSLRDK-UHFFFAOYSA-N 2 1 327.476 2.157 20 10 EECDMP [NH3+]C[C@]1(O)CCCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001205681307 1323243486 /nfs/dbraw/zinc/24/34/86/1323243486.db2.gz HYNXLFFTZNLOGO-HXUWFJFHSA-N 2 1 329.488 2.061 20 10 EECDMP Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001323828984 1333549197 /nfs/dbraw/zinc/54/91/97/1333549197.db2.gz FQODCFHNRDLMNJ-OAGGEKHMSA-N 2 1 345.487 2.426 20 10 EECDMP COc1cc(C)cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC001333704893 1336111112 /nfs/dbraw/zinc/11/11/12/1336111112.db2.gz GAAXBAZKTSLMBS-QGZVFWFLSA-N 2 1 334.460 2.442 20 10 EECDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2O)cc1 ZINC001578498436 1344285427 /nfs/dbraw/zinc/28/54/27/1344285427.db2.gz JYAHVJHJIRBMTL-MSOLQXFVSA-N 2 1 331.485 2.197 20 10 EECDMP Cc1noc([C@H]2CC[N@H+](Cc3ccc(N4CC[NH+](C)CC4)cc3)C2)n1 ZINC000794141419 1367714397 /nfs/dbraw/zinc/71/43/97/1367714397.db2.gz VJZHSTVZRSSMJC-KRWDZBQOSA-N 2 1 341.459 2.119 20 10 EECDMP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C2CCC2)cc1C ZINC001755236117 1407245641 /nfs/dbraw/zinc/24/56/41/1407245641.db2.gz DNYUCVQXIQPBCC-HOTGVXAUSA-N 2 1 347.503 2.471 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)C[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001129423549 810836532 /nfs/dbraw/zinc/83/65/32/810836532.db2.gz UUSPAOPFMDKBFD-GOSISDBHSA-N 2 1 347.503 2.472 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000362688184 465942422 /nfs/dbraw/zinc/94/24/22/465942422.db2.gz SWXHOCPMGOVKFE-HKUYNNGSSA-N 2 1 331.504 2.467 20 10 EECDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891251028 676247323 /nfs/dbraw/zinc/24/73/23/676247323.db2.gz BYGNJYJLVYZBSY-FCEWJHQRSA-N 2 1 346.519 2.344 20 10 EECDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891255986 676252102 /nfs/dbraw/zinc/25/21/02/676252102.db2.gz UPZKILPYJMPZHP-MOPGFXCFSA-N 2 1 346.519 2.346 20 10 EECDMP OC1CCN(c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2)CC1 ZINC000876929027 1199821276 /nfs/dbraw/zinc/82/12/76/1199821276.db2.gz FZXHLPZFYLGEGD-KRWDZBQOSA-N 2 1 329.488 2.222 20 10 EECDMP COc1ccc(O)c(C[NH+]2CCC3(C[NH+](Cc4cn[nH]c4)C3)CC2)c1 ZINC001275279379 1205297089 /nfs/dbraw/zinc/29/70/89/1205297089.db2.gz YUDABZRGTSRVFF-UHFFFAOYSA-N 2 1 342.443 2.222 20 10 EECDMP CN(C)CC[N@H+]1CCCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1 ZINC001275419333 1205350173 /nfs/dbraw/zinc/35/01/73/1205350173.db2.gz VFMLIXWCNFGXJZ-UHFFFAOYSA-N 2 1 347.503 2.337 20 10 EECDMP C[NH+](C)CCN1CCCC2(CC[NH+](Cc3cc(O)ccc3O)CC2)C1 ZINC001275419333 1205350175 /nfs/dbraw/zinc/35/01/75/1205350175.db2.gz VFMLIXWCNFGXJZ-UHFFFAOYSA-N 2 1 347.503 2.337 20 10 EECDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@H+](Cc1c(O)cccc1F)C2 ZINC001276360658 1214659122 /nfs/dbraw/zinc/65/91/22/1214659122.db2.gz VRUIGQXVUQWTBK-IBGZPJMESA-N 2 1 335.467 2.381 20 10 EECDMP C[NH+](C)CCN1CC[C@]2(C1)CCC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001276360658 1214659125 /nfs/dbraw/zinc/65/91/25/1214659125.db2.gz VRUIGQXVUQWTBK-IBGZPJMESA-N 2 1 335.467 2.381 20 10 EECDMP C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(O)ccc(F)c1Cl)C2 ZINC001276836939 1299846633 /nfs/dbraw/zinc/84/66/33/1299846633.db2.gz CJEPXHCETHSSSU-OLZOCXBDSA-N 2 1 341.858 2.252 20 10 EECDMP COC(=O)Cc1ccc(C[N@H+]2CCC[C@]3(CCC[NH+](C)C3)C2)c(O)c1 ZINC001277421202 1302950142 /nfs/dbraw/zinc/95/01/42/1302950142.db2.gz OZTNZRHVWSOFPU-FQEVSTJZSA-N 2 1 346.471 2.416 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@H+](C)C3)C2)c(O)c1 ZINC001277421202 1302950146 /nfs/dbraw/zinc/95/01/46/1302950146.db2.gz OZTNZRHVWSOFPU-FQEVSTJZSA-N 2 1 346.471 2.416 20 10 EECDMP COC(=O)Cc1ccc(C[NH+]2CCC[C@]3(CCC[N@@H+](C)C3)C2)c(O)c1 ZINC001277421202 1302950148 /nfs/dbraw/zinc/95/01/48/1302950148.db2.gz OZTNZRHVWSOFPU-FQEVSTJZSA-N 2 1 346.471 2.416 20 10 EECDMP C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001117788944 1306167408 /nfs/dbraw/zinc/16/74/08/1306167408.db2.gz CKLHGTIYPAAZJY-HNNXBMFYSA-N 2 1 345.466 2.032 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CC[C@H]4COC[C@@H]4C3)cc2)CC1 ZINC001140306420 1314862945 /nfs/dbraw/zinc/86/29/45/1314862945.db2.gz RJFYXEBOLWMLRC-OALUTQOASA-N 2 1 329.488 2.297 20 10 EECDMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@@H+]1C ZINC000840761049 1315408845 /nfs/dbraw/zinc/40/88/45/1315408845.db2.gz ONLHRSBIFWJRGR-UKRRQHHQSA-N 2 1 339.430 2.374 20 10 EECDMP C[C@@H]1C[C@H]([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC[N@H+]1C ZINC000840761049 1315408848 /nfs/dbraw/zinc/40/88/48/1315408848.db2.gz ONLHRSBIFWJRGR-UKRRQHHQSA-N 2 1 339.430 2.374 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)C[N@H+]2CCC[C@@H]2C)cc1C ZINC001166627449 1321753849 /nfs/dbraw/zinc/75/38/49/1321753849.db2.gz VXFRLODGIWFWLP-INIZCTEOSA-N 2 1 333.476 2.084 20 10 EECDMP C[C@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cn1cccn1 ZINC001318418979 1332529707 /nfs/dbraw/zinc/52/97/07/1332529707.db2.gz NUXKSPVYNHFDML-MRXNPFEDSA-N 2 1 345.466 2.200 20 10 EECDMP CC[N@@H+]1C[C@@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C ZINC001323324480 1333441866 /nfs/dbraw/zinc/44/18/66/1333441866.db2.gz VXZFGDKEWYVPSA-DLBZAZTESA-N 2 1 348.510 2.492 20 10 EECDMP CC[N@H+]1C[C@@H](C)N(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@@H]1C ZINC001323324480 1333441869 /nfs/dbraw/zinc/44/18/69/1333441869.db2.gz VXZFGDKEWYVPSA-DLBZAZTESA-N 2 1 348.510 2.492 20 10 EECDMP CCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1O ZINC000848890711 1338794415 /nfs/dbraw/zinc/79/44/15/1338794415.db2.gz UDUKJSDYECDTEN-VQIMIIECSA-N 2 1 331.504 2.412 20 10 EECDMP COc1[nH+]ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)c1N ZINC001167431194 759342942 /nfs/dbraw/zinc/34/29/42/759342942.db2.gz LTWRTRUSKMYYBB-UHFFFAOYSA-N 2 1 327.432 2.036 20 10 EECDMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000809755743 783364060 /nfs/dbraw/zinc/36/40/60/783364060.db2.gz BTSOSQNZPGDMIE-SFHVURJKSA-N 2 1 339.487 2.161 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000817865534 785031342 /nfs/dbraw/zinc/03/13/42/785031342.db2.gz KNRUDRBXBNPHCU-ZHALLVOQSA-N 3 1 330.520 2.244 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000817865534 785031348 /nfs/dbraw/zinc/03/13/48/785031348.db2.gz KNRUDRBXBNPHCU-ZHALLVOQSA-N 2 1 330.520 2.244 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@H]1C[NH3+] ZINC000817865534 785031356 /nfs/dbraw/zinc/03/13/56/785031356.db2.gz KNRUDRBXBNPHCU-ZHALLVOQSA-N 2 1 330.520 2.244 20 10 EECDMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)c2nccn21 ZINC000825017757 788396752 /nfs/dbraw/zinc/39/67/52/788396752.db2.gz YUWBMWWNTICMTG-CRAIPNDOSA-N 2 1 325.460 2.431 20 10 EECDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000844900973 789442984 /nfs/dbraw/zinc/44/29/84/789442984.db2.gz CJPBTZNHQFKBQY-LPHOPBHVSA-N 2 1 333.451 2.223 20 10 EECDMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C)C2)cc1C ZINC000998549078 792979871 /nfs/dbraw/zinc/97/98/71/792979871.db2.gz KCLLCXQQEADDAW-ABHNRTSZSA-N 2 1 345.487 2.177 20 10 EECDMP O=C1CC[C@H]2C[C@H]([NH2+]C3CC[NH+](Cc4ccccc4O)CC3)CCN12 ZINC001172164316 796908820 /nfs/dbraw/zinc/90/88/20/796908820.db2.gz ZFGWZKJWPZNZIC-MSOLQXFVSA-N 2 1 343.471 2.100 20 10 EECDMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000159134910 463270539 /nfs/dbraw/zinc/27/05/39/463270539.db2.gz KHQHJRYFURSQNR-GOSISDBHSA-N 2 1 341.455 2.243 20 10 EECDMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273600545 464721872 /nfs/dbraw/zinc/72/18/72/464721872.db2.gz RTTZTBHJTAWQPF-DZGCQCFKSA-N 2 1 338.448 2.186 20 10 EECDMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834868 467149156 /nfs/dbraw/zinc/14/91/56/467149156.db2.gz OVOUKNVQWIOEQG-AZUAARDMSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834868 467149159 /nfs/dbraw/zinc/14/91/59/467149159.db2.gz OVOUKNVQWIOEQG-AZUAARDMSA-N 2 1 329.488 2.439 20 10 EECDMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)C1 ZINC000377834868 467149162 /nfs/dbraw/zinc/14/91/62/467149162.db2.gz OVOUKNVQWIOEQG-AZUAARDMSA-N 2 1 329.488 2.439 20 10 EECDMP CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000775634754 577441432 /nfs/dbraw/zinc/44/14/32/577441432.db2.gz WIGKOQUFDIDTGY-GOSISDBHSA-N 2 1 345.487 2.214 20 10 EECDMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765796333 577507326 /nfs/dbraw/zinc/50/73/26/577507326.db2.gz JLGFAKCAABLLJK-IEBWSBKVSA-N 2 1 346.519 2.381 20 10 EECDMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N(C)C)cc1 ZINC000765796335 577507331 /nfs/dbraw/zinc/50/73/31/577507331.db2.gz JLGFAKCAABLLJK-MJGOQNOKSA-N 2 1 346.519 2.381 20 10 EECDMP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268463036 1182764654 /nfs/dbraw/zinc/76/46/54/1182764654.db2.gz UNMVATUIUZXAOU-SFHVURJKSA-N 2 1 347.503 2.426 20 10 EECDMP COc1cccc(C[N@@H+]2C[C@@H]3CC[NH+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001275271782 1205294486 /nfs/dbraw/zinc/29/44/86/1205294486.db2.gz YELVJQVOIJBXLS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1cccc(C[NH+]2C[C@@H]3CC[N@@H+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001275271782 1205294489 /nfs/dbraw/zinc/29/44/89/1205294489.db2.gz YELVJQVOIJBXLS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1cccc(C[NH+]2C[C@@H]3CC[N@H+](CCN(C)C)CC[C@@H]3C2)c1O ZINC001275271782 1205294490 /nfs/dbraw/zinc/29/44/90/1205294490.db2.gz YELVJQVOIJBXLS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1cccc(C[N@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001275271782 1205294491 /nfs/dbraw/zinc/29/44/91/1205294491.db2.gz YELVJQVOIJBXLS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1cccc(C[N@@H+]2C[C@@H]3CCN(CC[NH+](C)C)CC[C@@H]3C2)c1O ZINC001275271782 1205294494 /nfs/dbraw/zinc/29/44/94/1205294494.db2.gz YELVJQVOIJBXLS-CALCHBBNSA-N 2 1 347.503 2.106 20 10 EECDMP COc1cc(O)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000863646459 1296364355 /nfs/dbraw/zinc/36/43/55/1296364355.db2.gz UJZSYJTYQHDEHK-VXGBXAGGSA-N 2 1 348.365 2.369 20 10 EECDMP COc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1OC ZINC000863646459 1296364370 /nfs/dbraw/zinc/36/43/70/1296364370.db2.gz UJZSYJTYQHDEHK-VXGBXAGGSA-N 2 1 348.365 2.369 20 10 EECDMP COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000781528311 1303814260 /nfs/dbraw/zinc/81/42/60/1303814260.db2.gz VJBMQQINGCZXFK-LJQANCHMSA-N 2 1 345.487 2.356 20 10 EECDMP CN1CCCc2cc(C[N@@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc21 ZINC001235004745 1305082144 /nfs/dbraw/zinc/08/21/44/1305082144.db2.gz AWSWMPFEWPUDBI-HXUWFJFHSA-N 2 1 329.488 2.271 20 10 EECDMP CN1CCCc2cc(C[N@H+]3CCOC[C@@]4(CCC[NH2+]C4)C3)ccc21 ZINC001235004745 1305082149 /nfs/dbraw/zinc/08/21/49/1305082149.db2.gz AWSWMPFEWPUDBI-HXUWFJFHSA-N 2 1 329.488 2.271 20 10 EECDMP CN1CCOc2cc(C[N@@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)ccc21 ZINC001236009051 1305476029 /nfs/dbraw/zinc/47/60/29/1305476029.db2.gz IGRXIVPAILDKCN-KNQAVFIVSA-N 2 1 349.478 2.488 20 10 EECDMP CN1CCOc2cc(C[N@H+]3C[C@H]4C[NH2+]C[C@@]4(c4ccccc4)C3)ccc21 ZINC001236009051 1305476039 /nfs/dbraw/zinc/47/60/39/1305476039.db2.gz IGRXIVPAILDKCN-KNQAVFIVSA-N 2 1 349.478 2.488 20 10 EECDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@H](O)C(C)C ZINC001117948261 1306224709 /nfs/dbraw/zinc/22/47/09/1306224709.db2.gz QMORAXDEZBDZIR-IEBWSBKVSA-N 2 1 337.483 2.463 20 10 EECDMP CCC[N@@H+]1C[C@H]2CN(Cc3cc(C[NH+](C)C)c(O)c(OC)c3)C[C@H]2C1 ZINC001139261074 1314723061 /nfs/dbraw/zinc/72/30/61/1314723061.db2.gz UEUUIWNONHEMJX-HDICACEKSA-N 2 1 347.503 2.236 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CCc4ncncc4C3)cc2)CC1 ZINC001140304534 1314862480 /nfs/dbraw/zinc/86/24/80/1314862480.db2.gz TZKYAPAVEBVOKL-UHFFFAOYSA-N 2 1 337.471 2.177 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@H+]3CCc4ncncc4C3)cc2)CC1 ZINC001140304534 1314862484 /nfs/dbraw/zinc/86/24/84/1314862484.db2.gz TZKYAPAVEBVOKL-UHFFFAOYSA-N 2 1 337.471 2.177 20 10 EECDMP COc1cc(Cl)cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125425 1315849057 /nfs/dbraw/zinc/84/90/57/1315849057.db2.gz WEIKMLITNRSFKU-ZDUSSCGKSA-N 2 1 340.851 2.242 20 10 EECDMP COC(=O)c1c(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206187557 1323419464 /nfs/dbraw/zinc/41/94/64/1323419464.db2.gz UGMBBICPYBPWFK-LSDHHAIUSA-N 2 1 333.407 2.226 20 10 EECDMP COC(=O)c1c(C[N@H+]2CC[C@@H]([NH3+])[C@@H](F)CC2)c2ccccc2n1C ZINC001206187557 1323419482 /nfs/dbraw/zinc/41/94/82/1323419482.db2.gz UGMBBICPYBPWFK-LSDHHAIUSA-N 2 1 333.407 2.226 20 10 EECDMP [NH3+]C[C@@]1(F)CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206351625 1323467378 /nfs/dbraw/zinc/46/73/78/1323467378.db2.gz GPRWCMWYVMJQPF-IBGZPJMESA-N 2 1 335.467 2.301 20 10 EECDMP [NH3+]C[C@@]1(F)CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206351625 1323467385 /nfs/dbraw/zinc/46/73/85/1323467385.db2.gz GPRWCMWYVMJQPF-IBGZPJMESA-N 2 1 335.467 2.301 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC(CCO)CC3)cc2F)CC1 ZINC001319691256 1332742658 /nfs/dbraw/zinc/74/26/58/1332742658.db2.gz MOBYVOLJUHXJHL-UHFFFAOYSA-N 2 1 335.467 2.172 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[N@H+](C)CC3(C)C)cc2F)CC1 ZINC001320497275 1332897353 /nfs/dbraw/zinc/89/73/53/1332897353.db2.gz FXAYCCTYVCXXAJ-UHFFFAOYSA-N 2 1 334.483 2.104 20 10 EECDMP C[NH+]1CCN(c2ccc(CN3CC[N@@H+](C)CC3(C)C)cc2F)CC1 ZINC001320497275 1332897356 /nfs/dbraw/zinc/89/73/56/1332897356.db2.gz FXAYCCTYVCXXAJ-UHFFFAOYSA-N 2 1 334.483 2.104 20 10 EECDMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001323738567 1333528773 /nfs/dbraw/zinc/52/87/73/1333528773.db2.gz AWVGAFWYLVRDAI-GOSISDBHSA-N 2 1 348.510 2.397 20 10 EECDMP CN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1([NH+](C)C)CCC1 ZINC001326061312 1334021226 /nfs/dbraw/zinc/02/12/26/1334021226.db2.gz NUBRQUPVJJEQTH-UHFFFAOYSA-N 2 1 348.510 2.494 20 10 EECDMP COCC1=CC[N@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001338342064 1336843859 /nfs/dbraw/zinc/84/38/59/1336843859.db2.gz UFKSIADZFJAPPW-UHFFFAOYSA-N 2 1 333.451 2.356 20 10 EECDMP COCC1=CC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)CC1 ZINC001338342064 1336843861 /nfs/dbraw/zinc/84/38/61/1336843861.db2.gz UFKSIADZFJAPPW-UHFFFAOYSA-N 2 1 333.451 2.356 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1C ZINC001130713525 811962970 /nfs/dbraw/zinc/96/29/70/811962970.db2.gz RKBKKOSUWKIDJK-GOSISDBHSA-N 2 1 347.503 2.330 20 10 EECDMP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406540 1277216844 /nfs/dbraw/zinc/21/68/44/1277216844.db2.gz KVSLVVWTLQGCJB-UHFFFAOYSA-N 2 1 340.471 2.399 20 10 EECDMP CC[NH+](CC)CCN(C)C(=O)[C@]12C[C@H]1CC[N@H+]2Cc1ccccc1O ZINC001277440831 1303026405 /nfs/dbraw/zinc/02/64/05/1303026405.db2.gz FUXSSMIQVBZOQD-XLIONFOSSA-N 2 1 345.487 2.157 20 10 EECDMP COc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139253333 1314721313 /nfs/dbraw/zinc/72/13/13/1314721313.db2.gz RBVOCWXWZCMXDH-WBVHZDCISA-N 2 1 334.460 2.463 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001157894329 1318920606 /nfs/dbraw/zinc/92/06/06/1318920606.db2.gz ZVPLGKLZRDCTRQ-GOSISDBHSA-N 2 1 347.503 2.472 20 10 EECDMP COc1ccc(C[NH2+]CCCNC(=O)[C@@H]2CCCC[N@H+]2C)cc1C ZINC001161042387 1320365012 /nfs/dbraw/zinc/36/50/12/1320365012.db2.gz PRNBBFXJULEKHQ-KRWDZBQOSA-N 2 1 333.476 2.084 20 10 EECDMP CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001203943878 1321995928 /nfs/dbraw/zinc/99/59/28/1321995928.db2.gz IEGUFWSSOJFEGK-GOSISDBHSA-N 2 1 346.519 2.175 20 10 EECDMP CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](NC(=O)C[NH+](C)C)C2)cc1 ZINC001203943878 1321995931 /nfs/dbraw/zinc/99/59/31/1321995931.db2.gz IEGUFWSSOJFEGK-GOSISDBHSA-N 2 1 346.519 2.175 20 10 EECDMP Cc1cc(O)c(C[N@@H+]2CCCC[C@](O)(C[NH3+])C2)cc1Br ZINC001205725700 1323269000 /nfs/dbraw/zinc/26/90/00/1323269000.db2.gz KIWGIUQKLPJENL-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP Cc1cc(O)c(C[N@H+]2CCCC[C@](O)(C[NH3+])C2)cc1Br ZINC001205725700 1323269005 /nfs/dbraw/zinc/26/90/05/1323269005.db2.gz KIWGIUQKLPJENL-HNNXBMFYSA-N 2 1 343.265 2.139 20 10 EECDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001326230790 1334048632 /nfs/dbraw/zinc/04/86/32/1334048632.db2.gz FVPNABQDCOIQBI-GOSISDBHSA-N 2 1 336.499 2.383 20 10 EECDMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326230790 1334048635 /nfs/dbraw/zinc/04/86/35/1334048635.db2.gz FVPNABQDCOIQBI-GOSISDBHSA-N 3 1 336.499 2.383 20 10 EECDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001326230790 1334048637 /nfs/dbraw/zinc/04/86/37/1334048637.db2.gz FVPNABQDCOIQBI-GOSISDBHSA-N 3 1 336.499 2.383 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)cc1C ZINC001129328062 802592205 /nfs/dbraw/zinc/59/22/05/802592205.db2.gz LQYWHRQNSISTHH-GOSISDBHSA-N 2 1 347.503 2.187 20 10 EECDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001169091612 803618566 /nfs/dbraw/zinc/61/85/66/803618566.db2.gz SZQVKVYYKUGUAL-FNLKRUPLSA-N 3 1 328.504 2.153 20 10 EECDMP COc1ccc(O)c(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000179910030 464207646 /nfs/dbraw/zinc/20/76/46/464207646.db2.gz KFGBTSYEMJSKFK-CALCHBBNSA-N 2 1 347.503 2.391 20 10 EECDMP COc1ccc(O)c(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000179910030 464207651 /nfs/dbraw/zinc/20/76/51/464207651.db2.gz KFGBTSYEMJSKFK-CALCHBBNSA-N 2 1 347.503 2.391 20 10 EECDMP CN(C)c1ccc([C@H](CNC(=O)[C@H]2CC[N@H+]2C(C)(C)C)[NH+](C)C)cc1 ZINC000891246874 676240289 /nfs/dbraw/zinc/24/02/89/676240289.db2.gz QRAKYHKBFJRKOU-MSOLQXFVSA-N 2 1 346.519 2.344 20 10 EECDMP C[NH+](C)CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1O ZINC001273284698 1197953373 /nfs/dbraw/zinc/95/33/73/1197953373.db2.gz KISZHDBWWYSNNR-LJQANCHMSA-N 2 1 349.450 2.050 20 10 EECDMP COCCOC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001275267575 1205294220 /nfs/dbraw/zinc/29/42/20/1205294220.db2.gz RIPZOAFOMUTBQA-UHFFFAOYSA-N 2 1 334.460 2.301 20 10 EECDMP COCCOC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1O)CC2 ZINC001275267575 1205294221 /nfs/dbraw/zinc/29/42/21/1205294221.db2.gz RIPZOAFOMUTBQA-UHFFFAOYSA-N 2 1 334.460 2.301 20 10 EECDMP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1O ZINC000779052224 1208480302 /nfs/dbraw/zinc/48/03/02/1208480302.db2.gz ONATXZJBYYSVNJ-XHDPSFHLSA-N 2 1 343.265 2.180 20 10 EECDMP Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1O ZINC000779052224 1208480303 /nfs/dbraw/zinc/48/03/03/1208480303.db2.gz ONATXZJBYYSVNJ-XHDPSFHLSA-N 2 1 343.265 2.180 20 10 EECDMP CC(C)[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1nncn1C ZINC000796455797 1218278552 /nfs/dbraw/zinc/27/85/52/1218278552.db2.gz YNXOYLIMMYSYHP-SFHVURJKSA-N 2 1 342.491 2.054 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)cc1C ZINC001135102848 1278139854 /nfs/dbraw/zinc/13/98/54/1278139854.db2.gz PBMIKYMGXNQEEG-QZTJIDSGSA-N 2 1 345.487 2.226 20 10 EECDMP Cc1cccc(C[N@@H+]2CCCC[C@]23CC(=O)N(CC[NH+](C)C)C3)c1O ZINC001273770105 1285289748 /nfs/dbraw/zinc/28/97/48/1285289748.db2.gz OBPVBDHCHUIQFP-HXUWFJFHSA-N 2 1 345.487 2.219 20 10 EECDMP C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3c(O)ccc(F)c3Cl)[C@@H]2C1 ZINC001276837102 1299846736 /nfs/dbraw/zinc/84/67/36/1299846736.db2.gz FTKISXHQKYSTFL-SWLSCSKDSA-N 2 1 341.858 2.252 20 10 EECDMP CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)[C@@H]1C ZINC001235882077 1305437336 /nfs/dbraw/zinc/43/73/36/1305437336.db2.gz JOEKOXNGJROPPN-APWZRJJASA-N 2 1 345.487 2.260 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2F)CCC[C@H]1O ZINC001236930646 1305733770 /nfs/dbraw/zinc/73/37/70/1305733770.db2.gz DXMJUJAUCNRSMD-DNVCBOLYSA-N 2 1 335.467 2.170 20 10 EECDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)cc2F)[C@H](C)C1 ZINC001236945690 1305742759 /nfs/dbraw/zinc/74/27/59/1305742759.db2.gz LXGYRVYFQMSBHF-MRXNPFEDSA-N 2 1 334.483 2.104 20 10 EECDMP COc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)cc(C[NH+](C)C)c1O ZINC001139259135 1314722975 /nfs/dbraw/zinc/72/29/75/1314722975.db2.gz JNJZGDIRFOLZDS-AWEZNQCLSA-N 2 1 340.464 2.492 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@](O)(CF)CC3)cc2)CC1 ZINC001139407944 1314740173 /nfs/dbraw/zinc/74/01/73/1314740173.db2.gz HNJLUBKVDAZFEB-LJQANCHMSA-N 2 1 335.467 2.125 20 10 EECDMP COC(=O)C[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841006039 1315453019 /nfs/dbraw/zinc/45/30/19/1315453019.db2.gz GVUGLMACSUHTLQ-QWHCGFSZSA-N 2 1 340.851 2.409 20 10 EECDMP COC(=O)C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000841006039 1315453022 /nfs/dbraw/zinc/45/30/22/1315453022.db2.gz GVUGLMACSUHTLQ-QWHCGFSZSA-N 2 1 340.851 2.409 20 10 EECDMP CN1CCN(c2ccc(C[N@@H+](C)CC3CC[NH+](C)CC3)cc2F)CC1 ZINC001254011027 1317982248 /nfs/dbraw/zinc/98/22/48/1317982248.db2.gz RDCWEFHOUPCINY-UHFFFAOYSA-N 2 1 348.510 2.351 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC[NH+](C)CC1 ZINC001254011027 1317982250 /nfs/dbraw/zinc/98/22/50/1317982250.db2.gz RDCWEFHOUPCINY-UHFFFAOYSA-N 3 1 348.510 2.351 20 10 EECDMP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC1CC[NH+](C)CC1 ZINC001254011027 1317982251 /nfs/dbraw/zinc/98/22/51/1317982251.db2.gz RDCWEFHOUPCINY-UHFFFAOYSA-N 3 1 348.510 2.351 20 10 EECDMP Nc1nc(N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2O)cc[nH+]1 ZINC001160624898 1320215689 /nfs/dbraw/zinc/21/56/89/1320215689.db2.gz VWPQTAZTILAVSG-IAGOWNOFSA-N 2 1 337.383 2.323 20 10 EECDMP CN1CCCc2cc(C[N@H+]3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)ccc21 ZINC001276580169 1324630370 /nfs/dbraw/zinc/63/03/70/1324630370.db2.gz HWPPMGUZWVJNGZ-SFTDATJTSA-N 2 1 342.531 2.279 20 10 EECDMP C[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)Cn1ccnc1 ZINC001321649629 1333138114 /nfs/dbraw/zinc/13/81/14/1333138114.db2.gz ABVOWQBSDUCVFI-INIZCTEOSA-N 2 1 345.466 2.200 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]4C[NH+](C)CC[C@H]43)cc2)CC1 ZINC000809767574 783338759 /nfs/dbraw/zinc/33/87/59/783338759.db2.gz ONCAQXZWFDZUSO-TZIWHRDSSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC[C@@H]4C[N@H+](C)CC[C@H]43)cc2)CC1 ZINC000809767574 783338769 /nfs/dbraw/zinc/33/87/69/783338769.db2.gz ONCAQXZWFDZUSO-TZIWHRDSSA-N 3 1 342.531 2.355 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)cc2)CC1 ZINC000809767574 783338780 /nfs/dbraw/zinc/33/87/80/783338780.db2.gz ONCAQXZWFDZUSO-TZIWHRDSSA-N 3 1 342.531 2.355 20 10 EECDMP CN(C)c1ccc(CNC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000844224111 788914492 /nfs/dbraw/zinc/91/44/92/788914492.db2.gz MVTDDGNXOQTXOX-UHFFFAOYSA-N 2 1 346.519 2.210 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823463 577232761 /nfs/dbraw/zinc/23/27/61/577232761.db2.gz CWARXCJOVSBXBV-AZUAARDMSA-N 3 1 328.504 2.155 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823463 577232762 /nfs/dbraw/zinc/23/27/62/577232762.db2.gz CWARXCJOVSBXBV-AZUAARDMSA-N 2 1 328.504 2.155 20 10 EECDMP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000771823463 577232764 /nfs/dbraw/zinc/23/27/64/577232764.db2.gz CWARXCJOVSBXBV-AZUAARDMSA-N 2 1 328.504 2.155 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1C ZINC001020928305 675587545 /nfs/dbraw/zinc/58/75/45/675587545.db2.gz BDPNFMJDSOIUEL-KZNAEPCWSA-N 2 1 345.487 2.082 20 10 EECDMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1C ZINC000990275969 692802419 /nfs/dbraw/zinc/80/24/19/692802419.db2.gz GEVORUAJPFIOAD-GOSISDBHSA-N 2 1 345.487 2.178 20 10 EECDMP C[NH+](C)CCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1O ZINC001273284697 1197952971 /nfs/dbraw/zinc/95/29/71/1197952971.db2.gz KISZHDBWWYSNNR-IBGZPJMESA-N 2 1 349.450 2.050 20 10 EECDMP Cc1cc(C)c(C[N@@H+]2CCC[C@]23CCN(CC[NH+](C)C)C3=O)c(O)c1 ZINC001274214407 1204467192 /nfs/dbraw/zinc/46/71/92/1204467192.db2.gz XAIFTZWMEHHXSU-HXUWFJFHSA-N 2 1 345.487 2.138 20 10 EECDMP Oc1ccc(-c2ccc(F)cc2)cc1C[N@H+]1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235064656 1305102643 /nfs/dbraw/zinc/10/26/43/1305102643.db2.gz SCHBQMFXKDYLIW-FQEVSTJZSA-N 2 1 341.430 2.336 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1ccc2c(c1)OCO2 ZINC001235962804 1305457707 /nfs/dbraw/zinc/45/77/07/1305457707.db2.gz MNXZSCAPNGLYLW-UHFFFAOYSA-N 2 1 339.439 2.457 20 10 EECDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(cc2O)OCC[NH2+]C3)C2CCC2)CC1 ZINC001236572290 1305599989 /nfs/dbraw/zinc/59/99/89/1305599989.db2.gz LSVKOGNIWAZITI-SAABIXHNSA-N 3 1 345.487 2.499 20 10 EECDMP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)C2CCC2)CC1 ZINC001236572290 1305599993 /nfs/dbraw/zinc/59/99/93/1305599993.db2.gz LSVKOGNIWAZITI-SAABIXHNSA-N 2 1 345.487 2.499 20 10 EECDMP [NH3+][C@H]1CC[C@H]([N@@H+](Cc2cc3c(cc2[O-])OCC[NH2+]C3)C2CCC2)CC1 ZINC001236572290 1305599996 /nfs/dbraw/zinc/59/99/96/1305599996.db2.gz LSVKOGNIWAZITI-SAABIXHNSA-N 2 1 345.487 2.499 20 10 EECDMP CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CC[NH2+]CC3)cc2)C1 ZINC001237015407 1305768323 /nfs/dbraw/zinc/76/83/23/1305768323.db2.gz KBBFKKCTOWQHCM-SFHVURJKSA-N 2 1 345.487 2.261 20 10 EECDMP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)[C@@H](O)C(C)C ZINC001117948262 1306224456 /nfs/dbraw/zinc/22/44/56/1306224456.db2.gz QMORAXDEZBDZIR-MJGOQNOKSA-N 2 1 337.483 2.463 20 10 EECDMP CC[C@H]1CC(NCc2ccc(N3CC[NH2+]CC3)cc2)C[C@H](CC)[NH2+]1 ZINC001246172202 1310252004 /nfs/dbraw/zinc/25/20/04/1310252004.db2.gz GMQPFMLNFMDVEM-ROUUACIJSA-N 2 1 330.520 2.495 20 10 EECDMP COCCOc1ccc(N2CCN([C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254529561 1318109180 /nfs/dbraw/zinc/10/91/80/1318109180.db2.gz NSWJRHCKWZRUEZ-SFHVURJKSA-N 2 1 347.503 2.318 20 10 EECDMP COCCOc1ccc(N2CC[NH+]([C@H]3CCC[N@@H+](C)CC3)CC2)cc1 ZINC001254529561 1318109192 /nfs/dbraw/zinc/10/91/92/1318109192.db2.gz NSWJRHCKWZRUEZ-SFHVURJKSA-N 2 1 347.503 2.318 20 10 EECDMP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001256020501 1318603472 /nfs/dbraw/zinc/60/34/72/1318603472.db2.gz AGQZQXSHFGPVIE-QGZVFWFLSA-N 2 1 347.459 2.177 20 10 EECDMP C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001322446785 1333264636 /nfs/dbraw/zinc/26/46/36/1333264636.db2.gz RHNFALVWMUZYQB-WBVHZDCISA-N 2 1 335.467 2.340 20 10 EECDMP C[C@@H]1C[C@H](C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)[C@@H](C)O1 ZINC001325291536 1333859170 /nfs/dbraw/zinc/85/91/70/1333859170.db2.gz UDNIZTSDEHHVEU-BFYDXBDKSA-N 2 1 335.467 2.481 20 10 EECDMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001752680811 1406335250 /nfs/dbraw/zinc/33/52/50/1406335250.db2.gz RCKCJEDOTPPMNF-QAQDUYKDSA-N 2 1 333.476 2.082 20 10 EECDMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449321 693319286 /nfs/dbraw/zinc/31/92/86/693319286.db2.gz BCKCOTKDPASRDU-UIAACRFSSA-N 2 1 330.520 2.428 20 10 EECDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898449321 693319292 /nfs/dbraw/zinc/31/92/92/693319292.db2.gz BCKCOTKDPASRDU-UIAACRFSSA-N 2 1 330.520 2.428 20 10 EECDMP CN(C)c1cc(F)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1F ZINC000858126605 1294014838 /nfs/dbraw/zinc/01/48/38/1294014838.db2.gz CPPGKTDQBKCXAT-UHFFFAOYSA-N 2 1 340.462 2.148 20 10 EECDMP CCOC(=O)[C@@]12C[N@@H+](Cc3ccc(N(C)C)cc3)C[C@@H]1C[NH2+]CCC2 ZINC001222125190 1299371899 /nfs/dbraw/zinc/37/18/99/1299371899.db2.gz HICGELUNTLNSEN-PXNSSMCTSA-N 2 1 345.487 2.117 20 10 EECDMP CC[N@@H+](C)C1CCN(Cc2cc(C[NH+](C)C)c(O)c(OC)c2)CC1 ZINC001139260667 1314722885 /nfs/dbraw/zinc/72/28/85/1314722885.db2.gz OPZCJHNSNKEZQR-UHFFFAOYSA-N 2 1 335.492 2.379 20 10 EECDMP CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140288832 1314854646 /nfs/dbraw/zinc/85/46/46/1314854646.db2.gz VRWQGBIZKYXPSF-HDICACEKSA-N 2 1 329.488 2.031 20 10 EECDMP CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140288832 1314854649 /nfs/dbraw/zinc/85/46/49/1314854649.db2.gz VRWQGBIZKYXPSF-HDICACEKSA-N 2 1 329.488 2.031 20 10 EECDMP CC[NH+]1C[C@@H]2C[N@H+](Cc3ccc(N4CCC(O)CC4)cc3)C[C@@H]2C1 ZINC001140288832 1314854652 /nfs/dbraw/zinc/85/46/52/1314854652.db2.gz VRWQGBIZKYXPSF-HDICACEKSA-N 2 1 329.488 2.031 20 10 EECDMP CCN(CC)c1ccc(C[N@@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000841003976 1315453064 /nfs/dbraw/zinc/45/30/64/1315453064.db2.gz JKLSTNSKPHFWHL-GOSISDBHSA-N 2 1 346.519 2.162 20 10 EECDMP CC[N@@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001254010947 1317982307 /nfs/dbraw/zinc/98/23/07/1317982307.db2.gz QNXNNMYGSIAZRR-MRXNPFEDSA-N 2 1 334.483 2.104 20 10 EECDMP CC[N@H+]1CCN(Cc2ccc(N3CC[NH+](C)CC3)c(F)c2)C[C@H]1C ZINC001254010947 1317982309 /nfs/dbraw/zinc/98/23/09/1317982309.db2.gz QNXNNMYGSIAZRR-MRXNPFEDSA-N 2 1 334.483 2.104 20 10 EECDMP C[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CC[C@@H]1C[NH3+] ZINC001205626251 1323220422 /nfs/dbraw/zinc/22/04/22/1323220422.db2.gz FBBNGPMPEODWAN-SJLPKXTDSA-N 2 1 331.504 2.455 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH+]3CCC4(CCO4)CC3)cc2F)CC1 ZINC001321205392 1333044084 /nfs/dbraw/zinc/04/40/84/1333044084.db2.gz WXIJCDPDCZQEBD-UHFFFAOYSA-N 2 1 333.451 2.332 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CO)cc3)cc2F)CC1 ZINC001328511590 1334471451 /nfs/dbraw/zinc/47/14/51/1334471451.db2.gz KPAAWUXBZXRRAU-UHFFFAOYSA-N 2 1 343.446 2.360 20 10 EECDMP CC(C)CC[C@@H](CO)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001329160548 1334597228 /nfs/dbraw/zinc/59/72/28/1334597228.db2.gz GNDWHUVMLISCBK-KRWDZBQOSA-N 2 1 337.483 2.464 20 10 EECDMP CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2O)cc1 ZINC001578498437 1344285706 /nfs/dbraw/zinc/28/57/06/1344285706.db2.gz JYAHVJHJIRBMTL-QZTJIDSGSA-N 2 1 331.485 2.197 20 10 EECDMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000278316750 463961159 /nfs/dbraw/zinc/96/11/59/463961159.db2.gz XLZUKXIWDQBHSL-CYBMUJFWSA-N 2 1 337.420 2.473 20 10 EECDMP COc1c([O-])c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000290490498 464120963 /nfs/dbraw/zinc/12/09/63/464120963.db2.gz ONMHBTICUBCLHW-GXTWGEPZSA-N 2 1 335.404 2.225 20 10 EECDMP COc1c(O)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000290643715 464127171 /nfs/dbraw/zinc/12/71/71/464127171.db2.gz YQELMJFBARWVCT-AWEZNQCLSA-N 2 1 349.431 2.473 20 10 EECDMP COc1c(O)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000290643715 464127174 /nfs/dbraw/zinc/12/71/74/464127174.db2.gz YQELMJFBARWVCT-AWEZNQCLSA-N 2 1 349.431 2.473 20 10 EECDMP CN(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000702555109 1196010300 /nfs/dbraw/zinc/01/03/00/1196010300.db2.gz ZKKGNYCQVUFKIA-NRFANRHFSA-N 2 1 339.483 2.479 20 10 EECDMP CN(C)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000702555109 1196010303 /nfs/dbraw/zinc/01/03/03/1196010303.db2.gz ZKKGNYCQVUFKIA-NRFANRHFSA-N 2 1 339.483 2.479 20 10 EECDMP COc1ccc(C[NH2+]CCNC(=O)Cn2cc[nH+]c2C(C)C)cc1C ZINC001134570105 1199664790 /nfs/dbraw/zinc/66/47/90/1199664790.db2.gz IZVSDQRKIIBLPW-UHFFFAOYSA-N 2 1 344.459 2.230 20 10 EECDMP Cc1cc(O)c(C[N@@H+]2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)cc1Cl ZINC001276371988 1228889659 /nfs/dbraw/zinc/88/96/59/1228889659.db2.gz DHLHUUUUPUVVQG-WMLDXEAASA-N 2 1 337.895 2.422 20 10 EECDMP c1cc(N2CC[NH2+]CC2)ccc1C[NH+]1CCC2(CCCC[NH2+]2)CC1 ZINC001222292690 1299459471 /nfs/dbraw/zinc/45/94/71/1299459471.db2.gz INLUBGXOEYAISV-UHFFFAOYSA-N 3 1 328.504 2.204 20 10 EECDMP COc1cc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc(C[NH+](C)C)c1O ZINC001139256091 1314722171 /nfs/dbraw/zinc/72/21/71/1314722171.db2.gz SSUDJFROZMFZNM-LIRRHRJNSA-N 2 1 336.476 2.445 20 10 EECDMP CC[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H](O)[C@@H](C)CC3)cc2)CC1 ZINC001140301964 1314860865 /nfs/dbraw/zinc/86/08/65/1314860865.db2.gz FZEYXCBFLOOYNX-FXAWDEMLSA-N 2 1 331.504 2.421 20 10 EECDMP COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000840975721 1315449397 /nfs/dbraw/zinc/44/93/97/1315449397.db2.gz QIFNFLIKPIFRKD-HXUWFJFHSA-N 2 1 345.487 2.214 20 10 EECDMP Oc1cccc2c1C[N@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)CC2 ZINC001252932649 1317731348 /nfs/dbraw/zinc/73/13/48/1317731348.db2.gz VTLIIEGHBVFPBB-NRFANRHFSA-N 2 1 338.451 2.387 20 10 EECDMP Oc1cccc2c1C[N@@H+](C[C@@]1(O)CC[NH+](Cc3ccccc3)C1)CC2 ZINC001252932649 1317731352 /nfs/dbraw/zinc/73/13/52/1317731352.db2.gz VTLIIEGHBVFPBB-NRFANRHFSA-N 2 1 338.451 2.387 20 10 EECDMP Oc1cccc2c1C[NH+](C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CC2 ZINC001252932649 1317731357 /nfs/dbraw/zinc/73/13/57/1317731357.db2.gz VTLIIEGHBVFPBB-NRFANRHFSA-N 2 1 338.451 2.387 20 10 EECDMP Oc1cccc2c1C[NH+](C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC001252932649 1317731362 /nfs/dbraw/zinc/73/13/62/1317731362.db2.gz VTLIIEGHBVFPBB-NRFANRHFSA-N 2 1 338.451 2.387 20 10 EECDMP C[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CC3)C(C)(C)CO)cc2F)CC1 ZINC001261206542 1322044279 /nfs/dbraw/zinc/04/42/79/1322044279.db2.gz SFULFKQIUCQMSM-LJQANCHMSA-N 2 1 349.494 2.464 20 10 EECDMP [NH3+][C@@H]1CC[N@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1F ZINC001206199683 1323424020 /nfs/dbraw/zinc/42/40/20/1323424020.db2.gz OZELDFNGNOZCIG-IAGOWNOFSA-N 2 1 341.858 2.438 20 10 EECDMP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2Cl)CC[C@H]1F ZINC001206199683 1323424028 /nfs/dbraw/zinc/42/40/28/1323424028.db2.gz OZELDFNGNOZCIG-IAGOWNOFSA-N 2 1 341.858 2.438 20 10 EECDMP [NH3+]C[C@]1(F)CCCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206351626 1323467180 /nfs/dbraw/zinc/46/71/80/1323467180.db2.gz GPRWCMWYVMJQPF-LJQANCHMSA-N 2 1 335.467 2.301 20 10 EECDMP [NH3+]C[C@]1(F)CCCC[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001206351626 1323467182 /nfs/dbraw/zinc/46/71/82/1323467182.db2.gz GPRWCMWYVMJQPF-LJQANCHMSA-N 2 1 335.467 2.301 20 10 EECDMP Cc1nccnc1CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001324224203 1333638271 /nfs/dbraw/zinc/63/82/71/1333638271.db2.gz ZZFMVDOOXORWGY-UHFFFAOYSA-N 2 1 343.450 2.008 20 10 EECDMP CN1CCN(c2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2F)CC1 ZINC001328413406 1334456415 /nfs/dbraw/zinc/45/64/15/1334456415.db2.gz QXZZEHMIGVTFLF-INIZCTEOSA-N 2 1 334.483 2.138 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cc2F)CC1 ZINC001328413406 1334456417 /nfs/dbraw/zinc/45/64/17/1334456417.db2.gz QXZZEHMIGVTFLF-INIZCTEOSA-N 3 1 334.483 2.138 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2F)CC1 ZINC001328413406 1334456419 /nfs/dbraw/zinc/45/64/19/1334456419.db2.gz QXZZEHMIGVTFLF-INIZCTEOSA-N 3 1 334.483 2.138 20 10 EECDMP Oc1cc(O)c(C[NH+]2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001144504659 789894087 /nfs/dbraw/zinc/89/40/87/789894087.db2.gz YUBYEMOWQXRXKB-CHWSQXEVSA-N 2 1 346.452 2.429 20 10 EECDMP COC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001170523270 812209445 /nfs/dbraw/zinc/20/94/45/812209445.db2.gz CMOXZGYSKCSTMK-PBHICJAKSA-N 2 1 332.444 2.288 20 10 EECDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1C ZINC001022292817 676800216 /nfs/dbraw/zinc/80/02/16/676800216.db2.gz QRTJSVVBWQOEGN-KSZLIROESA-N 2 1 345.487 2.225 20 10 EECDMP OC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000850406909 1277216855 /nfs/dbraw/zinc/21/68/55/1277216855.db2.gz YRISBHZRDIQSHV-MJGOQNOKSA-N 2 1 329.488 2.364 20 10 EECDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]2C)cc1C ZINC001216851580 1297312633 /nfs/dbraw/zinc/31/26/33/1297312633.db2.gz AVHHBUMCPLHBCF-SJLPKXTDSA-N 2 1 347.503 2.280 20 10 EECDMP CC[N@@H+](CCn1ccnc1)Cc1ccc(N2CC[NH+](C)CC2)cc1F ZINC001236946224 1305742425 /nfs/dbraw/zinc/74/24/25/1305742425.db2.gz MVYFMWUAWPAWIQ-UHFFFAOYSA-N 2 1 345.466 2.296 20 10 EECDMP C[N@@H+](Cc1ccc(N2CC[NH2+]CC2)cc1)Cc1cccc2c1OCO2 ZINC001237015410 1305768055 /nfs/dbraw/zinc/76/80/55/1305768055.db2.gz KBSDQZNEMMNQAR-UHFFFAOYSA-N 2 1 339.439 2.457 20 10 EECDMP COc1cc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)cc(C[NH+](C)C)c1O ZINC001139258327 1314722853 /nfs/dbraw/zinc/72/28/53/1314722853.db2.gz POELWJFOCQMZRZ-ZYGGUILKSA-N 2 1 332.444 2.072 20 10 EECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CCC[C@]1(C)O ZINC001139409109 1314741032 /nfs/dbraw/zinc/74/10/32/1314741032.db2.gz WRRVXWIBSCWVSO-XLIONFOSSA-N 2 1 331.504 2.421 20 10 EECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC(C)(C)C[C@@]3(C)CO)cc2)CC1 ZINC001139409222 1314741130 /nfs/dbraw/zinc/74/11/30/1314741130.db2.gz XAIQJMKNNRLOIW-FQEVSTJZSA-N 2 1 331.504 2.421 20 10 EECDMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001251729787 1317495188 /nfs/dbraw/zinc/49/51/88/1317495188.db2.gz COXDVXNSGGWUPY-OAHLLOKOSA-N 2 1 343.450 2.088 20 10 EECDMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765625 783370479 /nfs/dbraw/zinc/37/04/79/783370479.db2.gz PPCOYWJRJQYIAI-QAPCUYQASA-N 2 1 335.467 2.434 20 10 EECDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765625 783370487 /nfs/dbraw/zinc/37/04/87/783370487.db2.gz PPCOYWJRJQYIAI-QAPCUYQASA-N 2 1 335.467 2.434 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765625 783370498 /nfs/dbraw/zinc/37/04/98/783370498.db2.gz PPCOYWJRJQYIAI-QAPCUYQASA-N 2 1 335.467 2.434 20 10 EECDMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809765625 783370509 /nfs/dbraw/zinc/37/05/09/783370509.db2.gz PPCOYWJRJQYIAI-QAPCUYQASA-N 2 1 335.467 2.434 20 10 EECDMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1C[NH3+] ZINC000817865984 785032666 /nfs/dbraw/zinc/03/26/66/785032666.db2.gz QUYLOJGHKHNWOV-INMHGKMJSA-N 2 1 335.467 2.468 20 10 EECDMP COc1c(O)c(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000818431657 785253029 /nfs/dbraw/zinc/25/30/29/785253029.db2.gz QOUOYKCTLVJVMZ-LBPRGKRZSA-N 2 1 335.404 2.273 20 10 EECDMP COc1c(O)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000818431657 785253033 /nfs/dbraw/zinc/25/30/33/785253033.db2.gz QOUOYKCTLVJVMZ-LBPRGKRZSA-N 2 1 335.404 2.273 20 10 EECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CC[NH+](C)CC3)cc2)[C@@H]1CC[NH3+] ZINC000844902041 789444112 /nfs/dbraw/zinc/44/41/12/789444112.db2.gz NCIMFLJXWUIXKL-YLJYHZDGSA-N 3 1 330.520 2.388 20 10 EECDMP C[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1CC[NH3+] ZINC000844902041 789444115 /nfs/dbraw/zinc/44/41/15/789444115.db2.gz NCIMFLJXWUIXKL-YLJYHZDGSA-N 2 1 330.520 2.388 20 10 EECDMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]1CC[NH3+] ZINC000844902041 789444119 /nfs/dbraw/zinc/44/41/19/789444119.db2.gz NCIMFLJXWUIXKL-YLJYHZDGSA-N 2 1 330.520 2.388 20 10 EECDMP