smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273585282 550504372 /nfs/dbraw/zinc/50/43/72/550504372.db2.gz NSOZJSHHMIXVSJ-HOTGVXAUSA-N 2 1 363.502 2.103 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057567 680984973 /nfs/dbraw/zinc/98/49/73/680984973.db2.gz KIEYPAKRRHVFDE-BBRMVZONSA-N 2 1 351.878 2.126 20 10 FECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC12CCOCC2 ZINC000843125515 680989207 /nfs/dbraw/zinc/98/92/07/680989207.db2.gz XONQZFJQTIBGSL-CYBMUJFWSA-N 2 1 355.276 2.342 20 10 FECDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058168 681039918 /nfs/dbraw/zinc/03/99/18/681039918.db2.gz LWLMVXMDFDIMIJ-BBRMVZONSA-N 2 1 351.878 2.078 20 10 FECDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058168 681039920 /nfs/dbraw/zinc/03/99/20/681039920.db2.gz LWLMVXMDFDIMIJ-BBRMVZONSA-N 2 1 351.878 2.078 20 10 FECDMP C[NH+]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058168 681039922 /nfs/dbraw/zinc/03/99/22/681039922.db2.gz LWLMVXMDFDIMIJ-BBRMVZONSA-N 2 1 351.878 2.078 20 10 FECDMP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275859 546426558 /nfs/dbraw/zinc/42/65/58/546426558.db2.gz UPLMAFOOWQCGNQ-LJQANCHMSA-N 2 1 360.546 2.375 20 10 FECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000273498353 550500716 /nfs/dbraw/zinc/50/07/16/550500716.db2.gz PNWXKPKDPRZWOP-CQSZACIVSA-N 2 1 373.453 2.365 20 10 FECDMP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000817971855 675188472 /nfs/dbraw/zinc/18/84/72/675188472.db2.gz HWUFWONSRBLKAO-ZANVPECISA-N 2 1 353.335 2.157 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000325846481 673051261 /nfs/dbraw/zinc/05/12/61/673051261.db2.gz ZFLKVPNWVFWZLP-XJKSGUPXSA-N 2 1 351.878 2.126 20 10 FECDMP O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C12CC[NH+](CC1)C2 ZINC000901127564 690616379 /nfs/dbraw/zinc/61/63/79/690616379.db2.gz LGJGQUKIEHEHMW-INIZCTEOSA-N 2 1 363.889 2.222 20 10 FECDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093147325 542913247 /nfs/dbraw/zinc/91/32/47/542913247.db2.gz YSWWXSFIFAVUAH-JOCHJYFZSA-N 2 1 372.557 2.125 20 10 FECDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093147325 542913250 /nfs/dbraw/zinc/91/32/50/542913250.db2.gz YSWWXSFIFAVUAH-JOCHJYFZSA-N 2 1 372.557 2.125 20 10 FECDMP CN(CCC[N@@H+](C)Cc1c(O)cccc1Br)CC[NH+](C)C ZINC000862367997 683578888 /nfs/dbraw/zinc/57/88/88/683578888.db2.gz AVHWYYVWCYJDGM-UHFFFAOYSA-N 2 1 358.324 2.470 20 10 FECDMP COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000162784939 546141694 /nfs/dbraw/zinc/14/16/94/546141694.db2.gz XCRDRLLMLJBTBX-RBUKOAKNSA-N 2 1 360.546 2.280 20 10 FECDMP COc1ccc(N2CCN(CCC[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000298448470 553426307 /nfs/dbraw/zinc/42/63/07/553426307.db2.gz NWXPIASBHHJZEC-UHFFFAOYSA-N 2 1 372.557 2.424 20 10 FECDMP COc1c(O)c(C[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000811513973 674610220 /nfs/dbraw/zinc/61/02/20/674610220.db2.gz YDNHIVURZQYZBP-UHFFFAOYSA-N 2 1 355.460 2.226 20 10 FECDMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066094 675410954 /nfs/dbraw/zinc/41/09/54/675410954.db2.gz VHNMEVPZJMPWNO-PBHICJAKSA-N 2 1 365.905 2.468 20 10 FECDMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066094 675410956 /nfs/dbraw/zinc/41/09/56/675410956.db2.gz VHNMEVPZJMPWNO-PBHICJAKSA-N 2 1 365.905 2.468 20 10 FECDMP C[NH+]1CC[C@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066094 675410960 /nfs/dbraw/zinc/41/09/60/675410960.db2.gz VHNMEVPZJMPWNO-PBHICJAKSA-N 2 1 365.905 2.468 20 10 FECDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)CC[N@H+]1C ZINC000827096290 675728804 /nfs/dbraw/zinc/72/88/04/675728804.db2.gz TVWATMHJSDRFIL-XOKHGSTOSA-N 2 1 365.905 2.466 20 10 FECDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC[NH+]1C ZINC000827096290 675728806 /nfs/dbraw/zinc/72/88/06/675728806.db2.gz TVWATMHJSDRFIL-XOKHGSTOSA-N 2 1 365.905 2.466 20 10 FECDMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC[NH+]1C ZINC000827096290 675728809 /nfs/dbraw/zinc/72/88/09/675728809.db2.gz TVWATMHJSDRFIL-XOKHGSTOSA-N 2 1 365.905 2.466 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057553 680985102 /nfs/dbraw/zinc/98/51/02/680985102.db2.gz JYYILFANXVILJD-MLGOLLRUSA-N 2 1 369.868 2.265 20 10 FECDMP COc1ccc(N2CCC([NH2+]CCCC[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000160706767 546064879 /nfs/dbraw/zinc/06/48/79/546064879.db2.gz ZHCOBPUKDSRFJD-FQEVSTJZSA-N 2 1 361.530 2.491 20 10 FECDMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc(OC)c3O)C2)CC1 ZINC000184689302 547865902 /nfs/dbraw/zinc/86/59/02/547865902.db2.gz FXZJHFUZUNZWKF-INIZCTEOSA-N 2 1 353.894 2.266 20 10 FECDMP CN(C)c1cc(F)c(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1F ZINC000858127480 682936366 /nfs/dbraw/zinc/93/63/66/682936366.db2.gz GBFBRXVYSRQHIM-UHFFFAOYSA-N 2 1 354.489 2.394 20 10 FECDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)C[C@H](C)O1 ZINC000263751909 549931307 /nfs/dbraw/zinc/93/13/07/549931307.db2.gz PEUGWORYGJHKNC-GASCZTMLSA-N 2 1 362.470 2.442 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000373108027 557630238 /nfs/dbraw/zinc/63/02/38/557630238.db2.gz ZDYCXIYGOUGLQS-GOSISDBHSA-N 2 1 369.513 2.324 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000373108027 557630240 /nfs/dbraw/zinc/63/02/40/557630240.db2.gz ZDYCXIYGOUGLQS-GOSISDBHSA-N 2 1 369.513 2.324 20 10 FECDMP CN1CCN([C@H]2CCCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377703623 558401149 /nfs/dbraw/zinc/40/11/49/558401149.db2.gz VLZIYULIUXSOTO-QFIPXVFZSA-N 2 1 372.557 2.125 20 10 FECDMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377703623 558401152 /nfs/dbraw/zinc/40/11/52/558401152.db2.gz VLZIYULIUXSOTO-QFIPXVFZSA-N 2 1 372.557 2.125 20 10 FECDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377703623 558401154 /nfs/dbraw/zinc/40/11/54/558401154.db2.gz VLZIYULIUXSOTO-QFIPXVFZSA-N 2 1 372.557 2.125 20 10 FECDMP COc1cc(Cl)cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1O ZINC000841086481 680862655 /nfs/dbraw/zinc/86/26/55/680862655.db2.gz ASMZYEKBLQILQQ-UHFFFAOYSA-N 2 1 353.894 2.360 20 10 FECDMP C[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C[C@H](O)C[NH3+] ZINC000841094625 680862975 /nfs/dbraw/zinc/86/29/75/680862975.db2.gz ZMNWBFVXOQUNFD-CQSZACIVSA-N 2 1 356.308 2.191 20 10 FECDMP C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C[C@H](O)C[NH3+] ZINC000841094625 680862977 /nfs/dbraw/zinc/86/29/77/680862977.db2.gz ZMNWBFVXOQUNFD-CQSZACIVSA-N 2 1 356.308 2.191 20 10 FECDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000846221651 681203552 /nfs/dbraw/zinc/20/35/52/681203552.db2.gz AJIBPZWBZQIXSD-XCRHUMRWSA-N 2 1 350.434 2.452 20 10 FECDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000863646889 683756583 /nfs/dbraw/zinc/75/65/83/683756583.db2.gz RBQMYAYNGPPHPF-DOTOQJQBSA-N 2 1 357.420 2.482 20 10 FECDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000863646889 683756587 /nfs/dbraw/zinc/75/65/87/683756587.db2.gz RBQMYAYNGPPHPF-DOTOQJQBSA-N 2 1 357.420 2.482 20 10 FECDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000863646892 683756602 /nfs/dbraw/zinc/75/66/02/683756602.db2.gz RBQMYAYNGPPHPF-WBVHZDCISA-N 2 1 357.420 2.482 20 10 FECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000863646892 683756605 /nfs/dbraw/zinc/75/66/05/683756605.db2.gz RBQMYAYNGPPHPF-WBVHZDCISA-N 2 1 357.420 2.482 20 10 FECDMP C[NH+](C)C/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378298688 558523659 /nfs/dbraw/zinc/52/36/59/558523659.db2.gz IAZKNOAUKHBGHN-NBUZRDOWSA-N 2 1 351.878 2.244 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057552 680985057 /nfs/dbraw/zinc/98/50/57/680985057.db2.gz JYYILFANXVILJD-LRDDRELGSA-N 2 1 369.868 2.265 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1)[C@@H]1CCC[NH2+]1 ZINC000843058323 680985121 /nfs/dbraw/zinc/98/51/21/680985121.db2.gz RQAVQZRAFVVKCN-WFASDCNBSA-N 2 1 369.868 2.265 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)[C@@H]1CCC[NH2+]1 ZINC000843058323 680985125 /nfs/dbraw/zinc/98/51/25/680985125.db2.gz RQAVQZRAFVVKCN-WFASDCNBSA-N 2 1 369.868 2.265 20 10 FECDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1O ZINC000846221648 681203466 /nfs/dbraw/zinc/20/34/66/681203466.db2.gz AJIBPZWBZQIXSD-FDQGKXFDSA-N 2 1 350.434 2.452 20 10 FECDMP O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C12CC[NH+](CC1)C2 ZINC000901127565 690616287 /nfs/dbraw/zinc/61/62/87/690616287.db2.gz LGJGQUKIEHEHMW-MRXNPFEDSA-N 2 1 363.889 2.222 20 10 FECDMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273585280 550504396 /nfs/dbraw/zinc/50/43/96/550504396.db2.gz NSOZJSHHMIXVSJ-CVEARBPZSA-N 2 1 363.502 2.103 20 10 FECDMP O=C(CCc1c[nH]cn1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540267 557713990 /nfs/dbraw/zinc/71/39/90/557713990.db2.gz WGLLHXMDPYVNPM-MRXNPFEDSA-N 2 1 362.861 2.482 20 10 FECDMP CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000378434106 558556612 /nfs/dbraw/zinc/55/66/12/558556612.db2.gz UDJXOFZURGMOPR-GOSISDBHSA-N 2 1 363.477 2.334 20 10 FECDMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Br)cc2O)CC1(C)C ZINC000825773192 675668316 /nfs/dbraw/zinc/66/83/16/675668316.db2.gz APMJGJSUINPNRH-UHFFFAOYSA-N 2 1 356.308 2.270 20 10 FECDMP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071500 680861881 /nfs/dbraw/zinc/86/18/81/680861881.db2.gz YZHSKUMQPJDWFB-LBPRGKRZSA-N 2 1 355.763 2.110 20 10 FECDMP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841755185 680910551 /nfs/dbraw/zinc/91/05/51/680910551.db2.gz HICFVOPMGMSGKI-HNNXBMFYSA-N 2 1 367.921 2.493 20 10 FECDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000846221650 681203339 /nfs/dbraw/zinc/20/33/39/681203339.db2.gz AJIBPZWBZQIXSD-QANKJYHBSA-N 2 1 350.434 2.452 20 10 FECDMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(O)c1OC ZINC000892232729 689167909 /nfs/dbraw/zinc/16/79/09/689167909.db2.gz BNBWBCFXNGYLHP-BFYDXBDKSA-N 2 1 350.459 2.093 20 10 FECDMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153744953 672203787 /nfs/dbraw/zinc/20/37/87/672203787.db2.gz BMBNIZLSRZJQRQ-INIZCTEOSA-N 2 1 353.482 2.281 20 10 FECDMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000760702281 680698301 /nfs/dbraw/zinc/69/83/01/680698301.db2.gz HGKWAIFKXGNHQV-UHFFFAOYSA-N 2 1 357.292 2.480 20 10 FECDMP COc1ccc(N2CCC([NH2+]CCCN3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000128394697 544050157 /nfs/dbraw/zinc/05/01/57/544050157.db2.gz QWFCLUDEZUDNFB-UHFFFAOYSA-N 2 1 360.546 2.281 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371362200 557161258 /nfs/dbraw/zinc/16/12/58/557161258.db2.gz YBGXVTLYARSPQR-HLLBOEOZSA-N 2 1 350.459 2.093 20 10 FECDMP C[NH+](C)C/C=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000378298687 558523625 /nfs/dbraw/zinc/52/36/25/558523625.db2.gz IAZKNOAUKHBGHN-MQDFFIGUSA-N 2 1 351.878 2.244 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCCN(CC(F)F)CC3)cc2)CC1 ZINC000809757963 674508710 /nfs/dbraw/zinc/50/87/10/674508710.db2.gz XURRZUJGZXYCBG-UHFFFAOYSA-N 2 1 352.473 2.211 20 10 FECDMP O=C(C[NH2+]Cc1cc(Cl)c(F)cc1O)NCC[NH+]1CCCCCC1 ZINC000816620572 675068937 /nfs/dbraw/zinc/06/89/37/675068937.db2.gz AWQLOVYCGDKHKU-UHFFFAOYSA-N 2 1 357.857 2.267 20 10 FECDMP C[N@H+]1CCC[C@H](N2CCN(Cc3c(O)cccc3Br)CC2)C1 ZINC000862240094 683556737 /nfs/dbraw/zinc/55/67/37/683556737.db2.gz LTOHNXKHGWNOJH-AWEZNQCLSA-N 2 1 368.319 2.367 20 10 FECDMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000092665996 542879537 /nfs/dbraw/zinc/87/95/37/542879537.db2.gz BCIOGBGUQSPENE-IYBDPMFKSA-N 2 1 361.486 2.111 20 10 FECDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000092665996 542879540 /nfs/dbraw/zinc/87/95/40/542879540.db2.gz BCIOGBGUQSPENE-IYBDPMFKSA-N 2 1 361.486 2.111 20 10 FECDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C)c3O)CC2)CC1 ZINC000180073333 547047569 /nfs/dbraw/zinc/04/75/69/547047569.db2.gz NMADJHLHKHYVGK-UHFFFAOYSA-N 2 1 359.514 2.467 20 10 FECDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000371471356 557192053 /nfs/dbraw/zinc/19/20/53/557192053.db2.gz TUXHMEAPHZAEPK-NJYVYQBISA-N 2 1 359.514 2.207 20 10 FECDMP Oc1ccc(Br)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841087060 680862666 /nfs/dbraw/zinc/86/26/66/680862666.db2.gz ITQBCPUIQROVII-UHFFFAOYSA-N 2 1 368.319 2.461 20 10 FECDMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)CC12CCOCC2 ZINC000843125518 680989320 /nfs/dbraw/zinc/98/93/20/680989320.db2.gz XONQZFJQTIBGSL-ZDUSSCGKSA-N 2 1 355.276 2.342 20 10 FECDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058172 681039883 /nfs/dbraw/zinc/03/98/83/681039883.db2.gz LWLMVXMDFDIMIJ-CZUORRHYSA-N 2 1 351.878 2.078 20 10 FECDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058172 681039885 /nfs/dbraw/zinc/03/98/85/681039885.db2.gz LWLMVXMDFDIMIJ-CZUORRHYSA-N 2 1 351.878 2.078 20 10 FECDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058172 681039886 /nfs/dbraw/zinc/03/98/86/681039886.db2.gz LWLMVXMDFDIMIJ-CZUORRHYSA-N 2 1 351.878 2.078 20 10 FECDMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766225 543900149 /nfs/dbraw/zinc/90/01/49/543900149.db2.gz IKVJVEYFSFJJRL-YLJYHZDGSA-N 2 1 360.546 2.373 20 10 FECDMP COc1cccc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190310560 548322174 /nfs/dbraw/zinc/32/21/74/548322174.db2.gz UXAVMNWAEZUGMZ-NRFANRHFSA-N 2 1 356.466 2.470 20 10 FECDMP COc1cccc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190310560 548322180 /nfs/dbraw/zinc/32/21/80/548322180.db2.gz UXAVMNWAEZUGMZ-NRFANRHFSA-N 2 1 356.466 2.470 20 10 FECDMP COc1cccc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000190310560 548322184 /nfs/dbraw/zinc/32/21/84/548322184.db2.gz UXAVMNWAEZUGMZ-NRFANRHFSA-N 2 1 356.466 2.470 20 10 FECDMP COc1cccc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000190310560 548322191 /nfs/dbraw/zinc/32/21/91/548322191.db2.gz UXAVMNWAEZUGMZ-NRFANRHFSA-N 2 1 356.466 2.470 20 10 FECDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000843431307 681003735 /nfs/dbraw/zinc/00/37/35/681003735.db2.gz AMZCONWWPNPMMR-UHFFFAOYSA-N 2 1 355.276 2.451 20 10 FECDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc(Br)ccc1O)CCO2 ZINC000843431307 681003737 /nfs/dbraw/zinc/00/37/37/681003737.db2.gz AMZCONWWPNPMMR-UHFFFAOYSA-N 2 1 355.276 2.451 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000844911566 681092918 /nfs/dbraw/zinc/09/29/18/681092918.db2.gz PAWCCOQVKJTRJY-INMHGKMJSA-N 2 1 350.459 2.270 20 10 FECDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898585263 690213975 /nfs/dbraw/zinc/21/39/75/690213975.db2.gz QENLKCKRQDKCSF-LBPRGKRZSA-N 2 1 365.499 2.314 20 10 FECDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898585263 690213978 /nfs/dbraw/zinc/21/39/78/690213978.db2.gz QENLKCKRQDKCSF-LBPRGKRZSA-N 2 1 365.499 2.314 20 10 FECDMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178522946 546807496 /nfs/dbraw/zinc/80/74/96/546807496.db2.gz JWVHRFITCHAAKQ-INIZCTEOSA-N 2 1 365.493 2.160 20 10 FECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000273498349 550500749 /nfs/dbraw/zinc/50/07/49/550500749.db2.gz PNWXKPKDPRZWOP-AWEZNQCLSA-N 2 1 373.453 2.365 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000844902193 681092658 /nfs/dbraw/zinc/09/26/58/681092658.db2.gz KSWYZHYOYCRTBP-YSVLISHTSA-N 2 1 350.459 2.128 20 10 FECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000775696754 681325093 /nfs/dbraw/zinc/32/50/93/681325093.db2.gz NUBGZNSFVROPLH-QGZVFWFLSA-N 2 1 367.559 2.084 20 10 FECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H](C)CS(=O)(=O)CC ZINC000775696754 681325097 /nfs/dbraw/zinc/32/50/97/681325097.db2.gz NUBGZNSFVROPLH-QGZVFWFLSA-N 2 1 367.559 2.084 20 10 FECDMP C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000359958863 554857427 /nfs/dbraw/zinc/85/74/27/554857427.db2.gz LDRDJUIODSUBNX-GDBMZVCRSA-N 2 1 353.894 2.103 20 10 FECDMP C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368052771 556205709 /nfs/dbraw/zinc/20/57/09/556205709.db2.gz YQKUTBXFIMGIJX-LJQANCHMSA-N 2 1 372.557 2.124 20 10 FECDMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066100 675410813 /nfs/dbraw/zinc/41/08/13/675410813.db2.gz VHNMEVPZJMPWNO-YOEHRIQHSA-N 2 1 365.905 2.468 20 10 FECDMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066100 675410814 /nfs/dbraw/zinc/41/08/14/675410814.db2.gz VHNMEVPZJMPWNO-YOEHRIQHSA-N 2 1 365.905 2.468 20 10 FECDMP C[NH+]1CC[C@@H](CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066100 675410817 /nfs/dbraw/zinc/41/08/17/675410817.db2.gz VHNMEVPZJMPWNO-YOEHRIQHSA-N 2 1 365.905 2.468 20 10 FECDMP CC(C)C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(=O)NCC[NH+](C)C ZINC000790980780 682717784 /nfs/dbraw/zinc/71/77/84/682717784.db2.gz PYJFLVDVJPGAIL-AWEZNQCLSA-N 2 1 359.873 2.367 20 10 FECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)CC1 ZINC000922333154 683699932 /nfs/dbraw/zinc/69/99/32/683699932.db2.gz MAGSYVCNEVTYTK-UHFFFAOYSA-N 2 1 364.291 2.214 20 10 FECDMP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc4c(s3)COCC4)cc2)CC1 ZINC000922958542 683811705 /nfs/dbraw/zinc/81/17/05/683811705.db2.gz JPBKNTXQCDOAGO-UHFFFAOYSA-N 2 1 358.511 2.257 20 10 FECDMP CCOc1ccc(O)c(C[NH+]2CCC(N(CCOC)CCOC)CC2)c1 ZINC000289262598 552290919 /nfs/dbraw/zinc/29/09/19/552290919.db2.gz FSPCUWDVKYSYGM-UHFFFAOYSA-N 2 1 366.502 2.350 20 10 FECDMP CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000376381751 558166015 /nfs/dbraw/zinc/16/60/15/558166015.db2.gz BWDBWKLJYDQYNF-UHFFFAOYSA-N 2 1 358.530 2.177 20 10 FECDMP C[NH+]1CCC(C[NH2+]Cc2c(O)ccc(Cl)c2F)(N2CCOCC2)CC1 ZINC000840954357 680856809 /nfs/dbraw/zinc/85/68/09/680856809.db2.gz CMNZGTJHGNKPLW-UHFFFAOYSA-N 2 1 371.884 2.071 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)cc2)CC1 ZINC000775689793 681323951 /nfs/dbraw/zinc/32/39/51/681323951.db2.gz KLCAPQXWUMXZBZ-IRXDYDNUSA-N 2 1 357.420 2.326 20 10 FECDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1c(O)cccc1Br ZINC000858132649 682936791 /nfs/dbraw/zinc/93/67/91/682936791.db2.gz APKGBAOAPWPQQA-ZDUSSCGKSA-N 2 1 357.292 2.481 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057569 680984966 /nfs/dbraw/zinc/98/49/66/680984966.db2.gz KIEYPAKRRHVFDE-CZUORRHYSA-N 2 1 351.878 2.126 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1)[C@H]1CCC[NH2+]1 ZINC000843058322 680985076 /nfs/dbraw/zinc/98/50/76/680985076.db2.gz RQAVQZRAFVVKCN-SWLSCSKDSA-N 2 1 369.868 2.265 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)[C@H]1CCC[NH2+]1 ZINC000843058322 680985079 /nfs/dbraw/zinc/98/50/79/680985079.db2.gz RQAVQZRAFVVKCN-SWLSCSKDSA-N 2 1 369.868 2.265 20 10 FECDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093147328 542913350 /nfs/dbraw/zinc/91/33/50/542913350.db2.gz YSWWXSFIFAVUAH-QFIPXVFZSA-N 2 1 372.557 2.125 20 10 FECDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093147328 542913353 /nfs/dbraw/zinc/91/33/53/542913353.db2.gz YSWWXSFIFAVUAH-QFIPXVFZSA-N 2 1 372.557 2.125 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247984845 549398310 /nfs/dbraw/zinc/39/83/10/549398310.db2.gz IRSRQMLIUBLMDV-AZUAARDMSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247984845 549398313 /nfs/dbraw/zinc/39/83/13/549398313.db2.gz IRSRQMLIUBLMDV-AZUAARDMSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247984845 549398316 /nfs/dbraw/zinc/39/83/16/549398316.db2.gz IRSRQMLIUBLMDV-AZUAARDMSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000247984845 549398319 /nfs/dbraw/zinc/39/83/19/549398319.db2.gz IRSRQMLIUBLMDV-AZUAARDMSA-N 2 1 358.530 2.127 20 10 FECDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295286955 552981951 /nfs/dbraw/zinc/98/19/51/552981951.db2.gz IWMWNCSTVMEMEW-UHFFFAOYSA-N 2 1 357.857 2.075 20 10 FECDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)c1ccccc1O ZINC000367783041 556137841 /nfs/dbraw/zinc/13/78/41/556137841.db2.gz JQXGMQCTGYMTHT-OAHLLOKOSA-N 2 1 357.502 2.427 20 10 FECDMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(O)c1OC ZINC000892232732 689167708 /nfs/dbraw/zinc/16/77/08/689167708.db2.gz BNBWBCFXNGYLHP-ZMSDIMECSA-N 2 1 350.459 2.093 20 10 FECDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N2CC([NH+](C)C)C2)C1 ZINC000444312464 560109212 /nfs/dbraw/zinc/10/92/12/560109212.db2.gz KZUDQPDFJGSTPA-UHFFFAOYSA-N 2 1 354.498 2.180 20 10 FECDMP Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071499 680861873 /nfs/dbraw/zinc/86/18/73/680861873.db2.gz YZHSKUMQPJDWFB-GFCCVEGCSA-N 2 1 355.763 2.110 20 10 FECDMP COc1cccc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190310540 548322609 /nfs/dbraw/zinc/32/26/09/548322609.db2.gz UXAVMNWAEZUGMZ-OAQYLSRUSA-N 2 1 356.466 2.470 20 10 FECDMP COc1cccc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190310540 548322611 /nfs/dbraw/zinc/32/26/11/548322611.db2.gz UXAVMNWAEZUGMZ-OAQYLSRUSA-N 2 1 356.466 2.470 20 10 FECDMP COc1cccc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000190310540 548322617 /nfs/dbraw/zinc/32/26/17/548322617.db2.gz UXAVMNWAEZUGMZ-OAQYLSRUSA-N 2 1 356.466 2.470 20 10 FECDMP COc1cccc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000190310540 548322620 /nfs/dbraw/zinc/32/26/20/548322620.db2.gz UXAVMNWAEZUGMZ-OAQYLSRUSA-N 2 1 356.466 2.470 20 10 FECDMP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756605711 680488458 /nfs/dbraw/zinc/48/84/58/680488458.db2.gz UPSCACRAMTXAHH-JTQLQIEISA-N 2 1 361.255 2.401 20 10 FECDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000371471354 557192108 /nfs/dbraw/zinc/19/21/08/557192108.db2.gz TUXHMEAPHZAEPK-HKBOAZHASA-N 2 1 359.514 2.207 20 10 FECDMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000153745058 672203679 /nfs/dbraw/zinc/20/36/79/672203679.db2.gz BMBNIZLSRZJQRQ-MRXNPFEDSA-N 2 1 353.482 2.281 20 10 FECDMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000238107699 548878874 /nfs/dbraw/zinc/87/88/74/548878874.db2.gz VNYYGEQNIHAPDY-UHFFFAOYSA-N 2 1 369.465 2.343 20 10 FECDMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)ccc2O)CC1(C)C ZINC000282439044 551228923 /nfs/dbraw/zinc/22/89/23/551228923.db2.gz RTVTTYVEUUTPOB-UHFFFAOYSA-N 2 1 356.308 2.270 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)cc1OC ZINC000377632172 558381232 /nfs/dbraw/zinc/38/12/32/558381232.db2.gz VLAAHRUQKDZFDM-KRWDZBQOSA-N 2 1 363.502 2.011 20 10 FECDMP COc1cc(O)c(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1OC ZINC000377632172 558381233 /nfs/dbraw/zinc/38/12/33/558381233.db2.gz VLAAHRUQKDZFDM-KRWDZBQOSA-N 2 1 363.502 2.011 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1OC ZINC000377632172 558381234 /nfs/dbraw/zinc/38/12/34/558381234.db2.gz VLAAHRUQKDZFDM-KRWDZBQOSA-N 2 1 363.502 2.011 20 10 FECDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[NH+]2CCC2)C1 ZINC000444267801 560107523 /nfs/dbraw/zinc/10/75/23/560107523.db2.gz QNRBJORUOXZWML-UHFFFAOYSA-N 2 1 354.498 2.230 20 10 FECDMP CC[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000775696753 681324673 /nfs/dbraw/zinc/32/46/73/681324673.db2.gz NUBGZNSFVROPLH-KRWDZBQOSA-N 2 1 367.559 2.084 20 10 FECDMP CC[N@@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000775696753 681324675 /nfs/dbraw/zinc/32/46/75/681324675.db2.gz NUBGZNSFVROPLH-KRWDZBQOSA-N 2 1 367.559 2.084 20 10 FECDMP COc1ccc(N2CCN(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000192619230 548368055 /nfs/dbraw/zinc/36/80/55/548368055.db2.gz APZFDBOPCYKYPZ-VCSGRIEYSA-N 2 1 372.557 2.422 20 10 FECDMP COc1ccc(N2CC[NH+](CCCNC3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000192619230 548368056 /nfs/dbraw/zinc/36/80/56/548368056.db2.gz APZFDBOPCYKYPZ-VCSGRIEYSA-N 2 1 372.557 2.422 20 10 FECDMP COc1ccc(N2CC[NH+](CCCNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000192619230 548368057 /nfs/dbraw/zinc/36/80/57/548368057.db2.gz APZFDBOPCYKYPZ-VCSGRIEYSA-N 2 1 372.557 2.422 20 10 FECDMP CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1O ZINC000846221649 681203303 /nfs/dbraw/zinc/20/33/03/681203303.db2.gz AJIBPZWBZQIXSD-OWQGQXMQSA-N 2 1 350.434 2.452 20 10 FECDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923315701 684261758 /nfs/dbraw/zinc/26/17/58/684261758.db2.gz YEMOATBOOSECJM-CQSZACIVSA-N 2 1 355.276 2.355 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227124 685099735 /nfs/dbraw/zinc/09/97/35/685099735.db2.gz BZNOXKZMQBUFHK-NVXWUHKLSA-N 3 1 356.436 2.007 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227124 685099743 /nfs/dbraw/zinc/09/97/43/685099743.db2.gz BZNOXKZMQBUFHK-NVXWUHKLSA-N 3 1 356.436 2.007 20 10 FECDMP COc1cc(Cl)cc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1O ZINC000877745869 686447624 /nfs/dbraw/zinc/44/76/24/686447624.db2.gz BMTOLWIRXJZIIC-UHFFFAOYSA-N 2 1 353.894 2.266 20 10 FECDMP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cccc(Br)c1O)CC2 ZINC000904390739 691024415 /nfs/dbraw/zinc/02/44/15/691024415.db2.gz BQDROGDKICXBCB-ZDUSSCGKSA-N 2 1 355.276 2.485 20 10 FECDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3O)c2)C1 ZINC000108420980 543289745 /nfs/dbraw/zinc/28/97/45/543289745.db2.gz FDYCZFPCOZPCBI-LJQANCHMSA-N 2 1 353.466 2.379 20 10 FECDMP COc1cc(O)c(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1OC ZINC000160255037 546023135 /nfs/dbraw/zinc/02/31/35/546023135.db2.gz MMXDPMAOSDAFGQ-KRWDZBQOSA-N 2 1 363.502 2.011 20 10 FECDMP COc1cc(O)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1OC ZINC000160255037 546023142 /nfs/dbraw/zinc/02/31/42/546023142.db2.gz MMXDPMAOSDAFGQ-KRWDZBQOSA-N 2 1 363.502 2.011 20 10 FECDMP COc1cc(O)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1OC ZINC000160255037 546023149 /nfs/dbraw/zinc/02/31/49/546023149.db2.gz MMXDPMAOSDAFGQ-KRWDZBQOSA-N 2 1 363.502 2.011 20 10 FECDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1cc(F)ccc1O ZINC000361745058 554932416 /nfs/dbraw/zinc/93/24/16/554932416.db2.gz PWUQUPQIWLYWPK-UHFFFAOYSA-N 2 1 361.465 2.005 20 10 FECDMP COc1ccc(N2CCC([NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000374242669 557849256 /nfs/dbraw/zinc/84/92/56/557849256.db2.gz ZPWKKDHPYTZSOL-UHFFFAOYSA-N 2 1 360.546 2.280 20 10 FECDMP CC(C)C[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)C(=O)NCC[NH+](C)C ZINC000756858350 680501970 /nfs/dbraw/zinc/50/19/70/680501970.db2.gz OCYGLEUCMCIPKU-WBMJQRKESA-N 2 1 357.445 2.414 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057568 680985014 /nfs/dbraw/zinc/98/50/14/680985014.db2.gz KIEYPAKRRHVFDE-CJNGLKHVSA-N 2 1 351.878 2.126 20 10 FECDMP CN(CCC[N@@H+](C)Cc1ccc(Br)cc1O)CC[NH+](C)C ZINC000825943430 675675164 /nfs/dbraw/zinc/67/51/64/675675164.db2.gz DZMKTWNSZSUXQB-UHFFFAOYSA-N 2 1 358.324 2.470 20 10 FECDMP CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000156844016 545669415 /nfs/dbraw/zinc/66/94/15/545669415.db2.gz VVJBEAMKLUQYAG-UHFFFAOYSA-N 2 1 368.529 2.317 20 10 FECDMP CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000156844016 545669417 /nfs/dbraw/zinc/66/94/17/545669417.db2.gz VVJBEAMKLUQYAG-UHFFFAOYSA-N 2 1 368.529 2.317 20 10 FECDMP COc1cc(O)c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000368052599 556204978 /nfs/dbraw/zinc/20/49/78/556204978.db2.gz XDTNIBQLCILOIF-KRWDZBQOSA-N 2 1 363.502 2.010 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cc1OC ZINC000377632173 558381440 /nfs/dbraw/zinc/38/14/40/558381440.db2.gz VLAAHRUQKDZFDM-QGZVFWFLSA-N 2 1 363.502 2.011 20 10 FECDMP COc1cc(O)c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1OC ZINC000377632173 558381443 /nfs/dbraw/zinc/38/14/43/558381443.db2.gz VLAAHRUQKDZFDM-QGZVFWFLSA-N 2 1 363.502 2.011 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1OC ZINC000377632173 558381447 /nfs/dbraw/zinc/38/14/47/558381447.db2.gz VLAAHRUQKDZFDM-QGZVFWFLSA-N 2 1 363.502 2.011 20 10 FECDMP CC(=O)c1cc(F)cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1O ZINC000378434107 558556636 /nfs/dbraw/zinc/55/66/36/558556636.db2.gz UDJXOFZURGMOPR-SFHVURJKSA-N 2 1 363.477 2.334 20 10 FECDMP CN(Cc1cc2c(cc1O)OCO2)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190313640 548322772 /nfs/dbraw/zinc/32/27/72/548322772.db2.gz MKZRMQJMNSBUBJ-OAQYLSRUSA-N 2 1 370.449 2.190 20 10 FECDMP CN(Cc1cc2c(cc1O)OCO2)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190313640 548322776 /nfs/dbraw/zinc/32/27/76/548322776.db2.gz MKZRMQJMNSBUBJ-OAQYLSRUSA-N 2 1 370.449 2.190 20 10 FECDMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066098 675410982 /nfs/dbraw/zinc/41/09/82/675410982.db2.gz VHNMEVPZJMPWNO-WMLDXEAASA-N 2 1 365.905 2.468 20 10 FECDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066098 675410986 /nfs/dbraw/zinc/41/09/86/675410986.db2.gz VHNMEVPZJMPWNO-WMLDXEAASA-N 2 1 365.905 2.468 20 10 FECDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066098 675410988 /nfs/dbraw/zinc/41/09/88/675410988.db2.gz VHNMEVPZJMPWNO-WMLDXEAASA-N 2 1 365.905 2.468 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227126 685099395 /nfs/dbraw/zinc/09/93/95/685099395.db2.gz BZNOXKZMQBUFHK-WBVHZDCISA-N 3 1 356.436 2.007 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227126 685099402 /nfs/dbraw/zinc/09/94/02/685099402.db2.gz BZNOXKZMQBUFHK-WBVHZDCISA-N 3 1 356.436 2.007 20 10 FECDMP C[NH+](C)C[C@@H]1CN(Cc2cccc(Br)c2O)C[C@H]1C[NH+](C)C ZINC000877669706 686433842 /nfs/dbraw/zinc/43/38/42/686433842.db2.gz VXVPFIJXAXANOI-HUUCEWRRSA-N 2 1 370.335 2.326 20 10 FECDMP COCC[N@H+](Cc1ccc(OC)c(OC)c1O)CC1CC[NH+](C)CC1 ZINC000895692990 689755458 /nfs/dbraw/zinc/75/54/58/689755458.db2.gz ZOZDDERGIZVQFI-UHFFFAOYSA-N 2 1 352.475 2.200 20 10 FECDMP CC[N@@H+](C)CCNC(=O)Cn1c2ccccc2c2c1CC[NH+](C(C)C)C2 ZINC000444237432 560106576 /nfs/dbraw/zinc/10/65/76/560106576.db2.gz JXDGONNZSSNUAS-UHFFFAOYSA-N 2 1 356.514 2.476 20 10 FECDMP CC[NH+](C)CCNC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000444237432 560106577 /nfs/dbraw/zinc/10/65/77/560106577.db2.gz JXDGONNZSSNUAS-UHFFFAOYSA-N 2 1 356.514 2.476 20 10 FECDMP CC[NH+](C)CCNC(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC000444237432 560106578 /nfs/dbraw/zinc/10/65/78/560106578.db2.gz JXDGONNZSSNUAS-UHFFFAOYSA-N 2 1 356.514 2.476 20 10 FECDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)cc1O ZINC000825284345 675645087 /nfs/dbraw/zinc/64/50/87/675645087.db2.gz YPFKELNNGLWKFO-OAHLLOKOSA-N 2 1 357.292 2.481 20 10 FECDMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1(C)C ZINC000883112098 687568268 /nfs/dbraw/zinc/56/82/68/687568268.db2.gz ZUCNYRPKLNFQSJ-UHFFFAOYSA-N 2 1 374.298 2.409 20 10 FECDMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000092666002 542879608 /nfs/dbraw/zinc/87/96/08/542879608.db2.gz BCIOGBGUQSPENE-HZPDHXFCSA-N 2 1 361.486 2.111 20 10 FECDMP CN(C)c1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000093142098 542912224 /nfs/dbraw/zinc/91/22/24/542912224.db2.gz IWJMSZMRQGTQAL-UHFFFAOYSA-N 2 1 358.530 2.129 20 10 FECDMP COc1cc(O)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000367749194 556129655 /nfs/dbraw/zinc/12/96/55/556129655.db2.gz LRWUZKVJNCHUSJ-QGZVFWFLSA-N 2 1 363.502 2.010 20 10 FECDMP Cc1c2ccccc2n(C)c1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000475198037 561092695 /nfs/dbraw/zinc/09/26/95/561092695.db2.gz VLUUXXFCHRCRCJ-UHFFFAOYSA-N 2 1 364.497 2.318 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057551 680985144 /nfs/dbraw/zinc/98/51/44/680985144.db2.gz JYYILFANXVILJD-BLLLJJGKSA-N 2 1 369.868 2.265 20 10 FECDMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccccc3O)c2)C1 ZINC000108420978 543289760 /nfs/dbraw/zinc/28/97/60/543289760.db2.gz FDYCZFPCOZPCBI-IBGZPJMESA-N 2 1 353.466 2.379 20 10 FECDMP CN(Cc1cc2c(cc1O)OCO2)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190313659 548322979 /nfs/dbraw/zinc/32/29/79/548322979.db2.gz MKZRMQJMNSBUBJ-NRFANRHFSA-N 2 1 370.449 2.190 20 10 FECDMP CN(Cc1cc2c(cc1O)OCO2)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190313659 548322985 /nfs/dbraw/zinc/32/29/85/548322985.db2.gz MKZRMQJMNSBUBJ-NRFANRHFSA-N 2 1 370.449 2.190 20 10 FECDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000362905983 554997943 /nfs/dbraw/zinc/99/79/43/554997943.db2.gz KUKMETXRAYQMBQ-UHFFFAOYSA-N 2 1 371.529 2.483 20 10 FECDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[NH+](C)C2)C1 ZINC000443989958 560098547 /nfs/dbraw/zinc/09/85/47/560098547.db2.gz NIFVCQSNRVBKHM-KRWDZBQOSA-N 2 1 368.525 2.476 20 10 FECDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000443989958 560098548 /nfs/dbraw/zinc/09/85/48/560098548.db2.gz NIFVCQSNRVBKHM-KRWDZBQOSA-N 2 1 368.525 2.476 20 10 FECDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000443989958 560098549 /nfs/dbraw/zinc/09/85/49/560098549.db2.gz NIFVCQSNRVBKHM-KRWDZBQOSA-N 2 1 368.525 2.476 20 10 FECDMP CC(C)C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NCC[NH+](C)C ZINC000816559182 675065205 /nfs/dbraw/zinc/06/52/05/675065205.db2.gz AUPCGDUONAUOAG-HNNXBMFYSA-N 2 1 359.873 2.367 20 10 FECDMP CN(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000843123585 680989033 /nfs/dbraw/zinc/98/90/33/680989033.db2.gz SDHPHSXIVXLNCB-MRXNPFEDSA-N 2 1 356.436 2.251 20 10 FECDMP C[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000154018168 544852891 /nfs/dbraw/zinc/85/28/91/544852891.db2.gz GYDAXWIOBFAVMI-KRWDZBQOSA-N 2 1 365.905 2.468 20 10 FECDMP COC1CCN(c2ccc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cc2)CC1 ZINC000294879395 552941100 /nfs/dbraw/zinc/94/11/00/552941100.db2.gz FBMQCFKQVOJMBO-UHFFFAOYSA-N 2 1 374.573 2.371 20 10 FECDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1cc(C)ccc1O ZINC000363534208 555130251 /nfs/dbraw/zinc/13/02/51/555130251.db2.gz LMXAJNPYINERLM-UHFFFAOYSA-N 2 1 357.502 2.174 20 10 FECDMP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000817971853 675188267 /nfs/dbraw/zinc/18/82/67/675188267.db2.gz HWUFWONSRBLKAO-RNCFNFMXSA-N 2 1 353.335 2.157 20 10 FECDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058170 681039732 /nfs/dbraw/zinc/03/97/32/681039732.db2.gz LWLMVXMDFDIMIJ-CJNGLKHVSA-N 2 1 351.878 2.078 20 10 FECDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058170 681039736 /nfs/dbraw/zinc/03/97/36/681039736.db2.gz LWLMVXMDFDIMIJ-CJNGLKHVSA-N 2 1 351.878 2.078 20 10 FECDMP C[NH+]1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058170 681039740 /nfs/dbraw/zinc/03/97/40/681039740.db2.gz LWLMVXMDFDIMIJ-CJNGLKHVSA-N 2 1 351.878 2.078 20 10 FECDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NCCC[NH+](C)C)C1 ZINC000436457314 559942001 /nfs/dbraw/zinc/94/20/01/559942001.db2.gz MIJJUFQKNTWRJR-UHFFFAOYSA-N 2 1 356.514 2.476 20 10 FECDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768466549 680947778 /nfs/dbraw/zinc/94/77/78/680947778.db2.gz RVBJBSASUQSNAN-INIZCTEOSA-N 2 1 352.475 2.342 20 10 FECDMP C[N@H+]1CCC[C@@H](N2CCN(Cc3c(O)cccc3Br)CC2)C1 ZINC000862240097 683556776 /nfs/dbraw/zinc/55/67/76/683556776.db2.gz LTOHNXKHGWNOJH-CQSZACIVSA-N 2 1 368.319 2.367 20 10 FECDMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000863646891 683756415 /nfs/dbraw/zinc/75/64/15/683756415.db2.gz RBQMYAYNGPPHPF-RDJZCZTQSA-N 2 1 357.420 2.482 20 10 FECDMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@@H]1C(F)(F)F ZINC000863646891 683756419 /nfs/dbraw/zinc/75/64/19/683756419.db2.gz RBQMYAYNGPPHPF-RDJZCZTQSA-N 2 1 357.420 2.482 20 10 FECDMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000154886921 544962687 /nfs/dbraw/zinc/96/26/87/544962687.db2.gz YFCVBOFPOVVPHV-MRXNPFEDSA-N 2 1 365.493 2.424 20 10 FECDMP COc1cc(O)c(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)cc1OC ZINC000160234672 546020687 /nfs/dbraw/zinc/02/06/87/546020687.db2.gz RJRGOTUJVSJFDX-CQSZACIVSA-N 2 1 350.459 2.095 20 10 FECDMP COc1cc(O)c(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1OC ZINC000160234672 546020691 /nfs/dbraw/zinc/02/06/91/546020691.db2.gz RJRGOTUJVSJFDX-CQSZACIVSA-N 2 1 350.459 2.095 20 10 FECDMP COc1cc(O)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1OC ZINC000367749193 556129689 /nfs/dbraw/zinc/12/96/89/556129689.db2.gz LRWUZKVJNCHUSJ-KRWDZBQOSA-N 2 1 363.502 2.010 20 10 FECDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335587 557151090 /nfs/dbraw/zinc/15/10/90/557151090.db2.gz KWUHOICOUKARSO-QFIPXVFZSA-N 2 1 372.557 2.124 20 10 FECDMP C[N@H+]1CCN(CC[NH2+]Cc2c(O)cccc2Br)CC1(C)C ZINC000858161985 682939368 /nfs/dbraw/zinc/93/93/68/682939368.db2.gz KAPKCZDERSHWCH-UHFFFAOYSA-N 2 1 356.308 2.270 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000371362201 557161206 /nfs/dbraw/zinc/16/12/06/557161206.db2.gz YBGXVTLYARSPQR-YQQAZPJKSA-N 2 1 350.459 2.093 20 10 FECDMP CN(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C(F)(F)F)c1 ZINC000843123584 680989081 /nfs/dbraw/zinc/98/90/81/680989081.db2.gz SDHPHSXIVXLNCB-INIZCTEOSA-N 2 1 356.436 2.251 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000775689791 681324304 /nfs/dbraw/zinc/32/43/04/681324304.db2.gz KLCAPQXWUMXZBZ-IAGOWNOFSA-N 2 1 357.420 2.326 20 10 FECDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[NH+](C)C2)C1 ZINC000443989959 560098593 /nfs/dbraw/zinc/09/85/93/560098593.db2.gz NIFVCQSNRVBKHM-QGZVFWFLSA-N 2 1 368.525 2.476 20 10 FECDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000443989959 560098595 /nfs/dbraw/zinc/09/85/95/560098595.db2.gz NIFVCQSNRVBKHM-QGZVFWFLSA-N 2 1 368.525 2.476 20 10 FECDMP CC(C)[NH+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H]2CC[N@@H+](C)C2)C1 ZINC000443989959 560098597 /nfs/dbraw/zinc/09/85/97/560098597.db2.gz NIFVCQSNRVBKHM-QGZVFWFLSA-N 2 1 368.525 2.476 20 10 FECDMP COc1ccc(N2CCN(CCC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000162784810 546141941 /nfs/dbraw/zinc/14/19/41/546141941.db2.gz XCRDRLLMLJBTBX-RTBURBONSA-N 2 1 360.546 2.280 20 10 FECDMP CN(C)c1ccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171388403 546206144 /nfs/dbraw/zinc/20/61/44/546206144.db2.gz QOWHRABWKQKALC-UHFFFAOYSA-N 2 1 358.530 2.177 20 10 FECDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(F)ccc3O)CC2)CC1 ZINC000180088112 547050100 /nfs/dbraw/zinc/05/01/00/547050100.db2.gz ARZLPYGZMZMNKY-UHFFFAOYSA-N 2 1 363.477 2.298 20 10 FECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000273613449 550505268 /nfs/dbraw/zinc/50/52/68/550505268.db2.gz WVDGIIYDKZFFDT-GOEBONIOSA-N 2 1 350.459 2.066 20 10 FECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000273613449 550505269 /nfs/dbraw/zinc/50/52/69/550505269.db2.gz WVDGIIYDKZFFDT-GOEBONIOSA-N 2 1 350.459 2.066 20 10 FECDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000412393315 559032958 /nfs/dbraw/zinc/03/29/58/559032958.db2.gz HAHQQVVLAWXEBY-INIZCTEOSA-N 2 1 356.514 2.474 20 10 FECDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC000820086383 675335523 /nfs/dbraw/zinc/33/55/23/675335523.db2.gz BFFWAWDTLNEPOZ-ZDUSSCGKSA-N 2 1 356.898 2.117 20 10 FECDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cc(Cl)ccc1O ZINC000820086383 675335526 /nfs/dbraw/zinc/33/55/26/675335526.db2.gz BFFWAWDTLNEPOZ-ZDUSSCGKSA-N 2 1 356.898 2.117 20 10 FECDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849051725 681648062 /nfs/dbraw/zinc/64/80/62/681648062.db2.gz GXTRETLXAKYPNN-CYBMUJFWSA-N 2 1 355.280 2.253 20 10 FECDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852746514 682335232 /nfs/dbraw/zinc/33/52/32/682335232.db2.gz MIZKQGYOWQVFRL-CQSZACIVSA-N 2 1 355.276 2.498 20 10 FECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000273613450 550505192 /nfs/dbraw/zinc/50/51/92/550505192.db2.gz WVDGIIYDKZFFDT-HOCLYGCPSA-N 2 1 350.459 2.066 20 10 FECDMP COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000273613450 550505193 /nfs/dbraw/zinc/50/51/93/550505193.db2.gz WVDGIIYDKZFFDT-HOCLYGCPSA-N 2 1 350.459 2.066 20 10 FECDMP CCC[NH+]1CCC(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000369543139 556626309 /nfs/dbraw/zinc/62/63/09/556626309.db2.gz BMMGBRYMQGVCKA-UHFFFAOYSA-N 2 1 361.486 2.113 20 10 FECDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)CC[N@H+]1C ZINC000827096289 675728833 /nfs/dbraw/zinc/72/88/33/675728833.db2.gz TVWATMHJSDRFIL-KBRIMQKVSA-N 2 1 365.905 2.466 20 10 FECDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC[NH+]1C ZINC000827096289 675728836 /nfs/dbraw/zinc/72/88/36/675728836.db2.gz TVWATMHJSDRFIL-KBRIMQKVSA-N 2 1 365.905 2.466 20 10 FECDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC[NH+]1C ZINC000827096289 675728837 /nfs/dbraw/zinc/72/88/37/675728837.db2.gz TVWATMHJSDRFIL-KBRIMQKVSA-N 2 1 365.905 2.466 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)cc2)CC1 ZINC000775689795 681324276 /nfs/dbraw/zinc/32/42/76/681324276.db2.gz KLCAPQXWUMXZBZ-SJORKVTESA-N 2 1 357.420 2.326 20 10 FECDMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(O)c1OC ZINC000892232730 689167871 /nfs/dbraw/zinc/16/78/71/689167871.db2.gz BNBWBCFXNGYLHP-HLLBOEOZSA-N 2 1 350.459 2.093 20 10 FECDMP COc1cc(Cl)cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1O ZINC000903980632 690991599 /nfs/dbraw/zinc/99/15/99/690991599.db2.gz WCYSAEGYRPGPNZ-CALCHBBNSA-N 2 1 365.905 2.455 20 10 FECDMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000729683871 673243846 /nfs/dbraw/zinc/24/38/46/673243846.db2.gz DTVKGFKPEIKEBD-UHFFFAOYSA-N 2 1 356.308 2.272 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@@](CO)(C(F)(F)F)C3)cc2)CC1 ZINC000895837184 689778462 /nfs/dbraw/zinc/77/84/62/689778462.db2.gz RZYJTBXWXVIVLF-QGZVFWFLSA-N 2 1 357.420 2.185 20 10 FECDMP Cc1cc(O)c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000066859617 541381894 /nfs/dbraw/zinc/38/18/94/541381894.db2.gz ZREOGAFNTVEDFV-UHFFFAOYSA-N 2 1 359.514 2.385 20 10 FECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000273613448 550505145 /nfs/dbraw/zinc/50/51/45/550505145.db2.gz WVDGIIYDKZFFDT-GDBMZVCRSA-N 2 1 350.459 2.066 20 10 FECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000273613448 550505146 /nfs/dbraw/zinc/50/51/46/550505146.db2.gz WVDGIIYDKZFFDT-GDBMZVCRSA-N 2 1 350.459 2.066 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1OC ZINC000378345594 558534713 /nfs/dbraw/zinc/53/47/13/558534713.db2.gz LWTDXPFAWCRFLU-OAHLLOKOSA-N 2 1 363.502 2.010 20 10 FECDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058175 681039826 /nfs/dbraw/zinc/03/98/26/681039826.db2.gz LWLMVXMDFDIMIJ-XJKSGUPXSA-N 2 1 351.878 2.078 20 10 FECDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058175 681039829 /nfs/dbraw/zinc/03/98/29/681039829.db2.gz LWLMVXMDFDIMIJ-XJKSGUPXSA-N 2 1 351.878 2.078 20 10 FECDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000771058175 681039831 /nfs/dbraw/zinc/03/98/31/681039831.db2.gz LWLMVXMDFDIMIJ-XJKSGUPXSA-N 2 1 351.878 2.078 20 10 FECDMP COc1ccc(O)c(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000190313819 548322485 /nfs/dbraw/zinc/32/24/85/548322485.db2.gz NWXCBMXXGYRVAS-OAQYLSRUSA-N 2 1 356.466 2.470 20 10 FECDMP COc1ccc(O)c(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000190313819 548322488 /nfs/dbraw/zinc/32/24/88/548322488.db2.gz NWXCBMXXGYRVAS-OAQYLSRUSA-N 2 1 356.466 2.470 20 10 FECDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccccc1O ZINC000367783036 556138099 /nfs/dbraw/zinc/13/80/99/556138099.db2.gz JQXGMQCTGYMTHT-HNNXBMFYSA-N 2 1 357.502 2.427 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000325846480 673051005 /nfs/dbraw/zinc/05/10/05/673051005.db2.gz ZFLKVPNWVFWZLP-CZUORRHYSA-N 2 1 351.878 2.126 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1OC ZINC000844911565 681092907 /nfs/dbraw/zinc/09/29/07/681092907.db2.gz PAWCCOQVKJTRJY-BFYDXBDKSA-N 2 1 350.459 2.270 20 10 FECDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852746513 682334920 /nfs/dbraw/zinc/33/49/20/682334920.db2.gz MIZKQGYOWQVFRL-AWEZNQCLSA-N 2 1 355.276 2.498 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227123 685099606 /nfs/dbraw/zinc/09/96/06/685099606.db2.gz BZNOXKZMQBUFHK-DOTOQJQBSA-N 3 1 356.436 2.007 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000873227123 685099615 /nfs/dbraw/zinc/09/96/15/685099615.db2.gz BZNOXKZMQBUFHK-DOTOQJQBSA-N 3 1 356.436 2.007 20 10 FECDMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178522956 546807509 /nfs/dbraw/zinc/80/75/09/546807509.db2.gz JWVHRFITCHAAKQ-MRXNPFEDSA-N 2 1 365.493 2.160 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)CN2CCC(c3c[nH]cn3)CC2)cc1 ZINC000374210477 557844341 /nfs/dbraw/zinc/84/43/41/557844341.db2.gz VBQXTDDWTWQGJR-UHFFFAOYSA-N 2 1 355.486 2.314 20 10 FECDMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863646753 683756644 /nfs/dbraw/zinc/75/66/44/683756644.db2.gz DQXMTPLXEAZTOU-UHFFFAOYSA-N 2 1 350.463 2.253 20 10 FECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000273613451 550505260 /nfs/dbraw/zinc/50/52/60/550505260.db2.gz WVDGIIYDKZFFDT-ZBFHGGJFSA-N 2 1 350.459 2.066 20 10 FECDMP COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000273613451 550505262 /nfs/dbraw/zinc/50/52/62/550505262.db2.gz WVDGIIYDKZFFDT-ZBFHGGJFSA-N 2 1 350.459 2.066 20 10 FECDMP C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000359958866 554857651 /nfs/dbraw/zinc/85/76/51/554857651.db2.gz LDRDJUIODSUBNX-ZBFHGGJFSA-N 2 1 353.894 2.103 20 10 FECDMP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]Cc1cccc(F)c1O ZINC000368023690 556197367 /nfs/dbraw/zinc/19/73/67/556197367.db2.gz XYDXQRCBRWMLKN-UHFFFAOYSA-N 2 1 361.465 2.005 20 10 FECDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1cccc(F)c1O ZINC000368023690 556197368 /nfs/dbraw/zinc/19/73/68/556197368.db2.gz XYDXQRCBRWMLKN-UHFFFAOYSA-N 2 1 361.465 2.005 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000325846478 673051108 /nfs/dbraw/zinc/05/11/08/673051108.db2.gz ZFLKVPNWVFWZLP-BBRMVZONSA-N 2 1 351.878 2.126 20 10 FECDMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000841099792 680863310 /nfs/dbraw/zinc/86/33/10/680863310.db2.gz PAGOGEFZXOFHOL-AWEZNQCLSA-N 2 1 366.263 2.042 20 10 FECDMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000841099793 680863387 /nfs/dbraw/zinc/86/33/87/680863387.db2.gz PAGOGEFZXOFHOL-CQSZACIVSA-N 2 1 366.263 2.042 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1OC ZINC000378345593 558534623 /nfs/dbraw/zinc/53/46/23/558534623.db2.gz LWTDXPFAWCRFLU-HNNXBMFYSA-N 2 1 363.502 2.010 20 10 FECDMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066096 675410930 /nfs/dbraw/zinc/41/09/30/675410930.db2.gz VHNMEVPZJMPWNO-RHSMWYFYSA-N 2 1 365.905 2.468 20 10 FECDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066096 675410934 /nfs/dbraw/zinc/41/09/34/675410934.db2.gz VHNMEVPZJMPWNO-RHSMWYFYSA-N 2 1 365.905 2.468 20 10 FECDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000821066096 675410936 /nfs/dbraw/zinc/41/09/36/675410936.db2.gz VHNMEVPZJMPWNO-RHSMWYFYSA-N 2 1 365.905 2.468 20 10 FECDMP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1O ZINC000092705013 542882494 /nfs/dbraw/zinc/88/24/94/542882494.db2.gz SQBSLNFNVBRGCZ-UHFFFAOYSA-N 2 1 355.486 2.346 20 10 FECDMP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccccc1O ZINC000092705013 542882497 /nfs/dbraw/zinc/88/24/97/542882497.db2.gz SQBSLNFNVBRGCZ-UHFFFAOYSA-N 2 1 355.486 2.346 20 10 FECDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000843124475 680988994 /nfs/dbraw/zinc/98/89/94/680988994.db2.gz BELSVRKUAIXPTH-ZBFHGGJFSA-N 2 1 355.276 2.483 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1OC ZINC000844902191 681092677 /nfs/dbraw/zinc/09/26/77/681092677.db2.gz KSWYZHYOYCRTBP-LXZKKBNFSA-N 2 1 350.459 2.128 20 10 FECDMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1c(O)cccc1Br ZINC000858132648 682936580 /nfs/dbraw/zinc/93/65/80/682936580.db2.gz APKGBAOAPWPQQA-CYBMUJFWSA-N 2 1 357.292 2.481 20 10 FECDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000371471355 557191977 /nfs/dbraw/zinc/19/19/77/557191977.db2.gz TUXHMEAPHZAEPK-NJDAHSKKSA-N 2 1 359.514 2.207 20 10 FECDMP CCCN(Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(C[NH3+])cc1 ZINC000194978543 548558398 /nfs/dbraw/zinc/55/83/98/548558398.db2.gz XBZLKMOZFINROC-UHFFFAOYSA-N 2 1 354.502 2.104 20 10 FECDMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1cccc(C)c1O ZINC000368401024 556297582 /nfs/dbraw/zinc/29/75/82/556297582.db2.gz BEXNAKSGPMKTEF-UHFFFAOYSA-N 2 1 357.502 2.174 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1)[C@@H]1CCC[NH2+]1 ZINC000843058320 680985047 /nfs/dbraw/zinc/98/50/47/680985047.db2.gz RQAVQZRAFVVKCN-DOMZBBRYSA-N 2 1 369.868 2.265 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)[C@@H]1CCC[NH2+]1 ZINC000843058320 680985049 /nfs/dbraw/zinc/98/50/49/680985049.db2.gz RQAVQZRAFVVKCN-DOMZBBRYSA-N 2 1 369.868 2.265 20 10 FECDMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858126863 682936184 /nfs/dbraw/zinc/93/61/84/682936184.db2.gz LOUAZHMZXQVLIZ-UHFFFAOYSA-N 2 1 356.308 2.272 20 10 FECDMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000125766048 543899772 /nfs/dbraw/zinc/89/97/72/543899772.db2.gz IKVJVEYFSFJJRL-XLIONFOSSA-N 2 1 360.546 2.373 20 10 FECDMP C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000159004753 545913635 /nfs/dbraw/zinc/91/36/35/545913635.db2.gz VVHHGEYCBKSPJS-PXNSSMCTSA-N 2 1 369.513 2.491 20 10 FECDMP COc1cc(O)c(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1OC ZINC000371426964 557183350 /nfs/dbraw/zinc/18/33/50/557183350.db2.gz RTRXFMHZMYKINZ-UHFFFAOYSA-N 2 1 364.486 2.485 20 10 FECDMP CN1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377703622 558401227 /nfs/dbraw/zinc/40/12/27/558401227.db2.gz VLZIYULIUXSOTO-JOCHJYFZSA-N 2 1 372.557 2.125 20 10 FECDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377703622 558401228 /nfs/dbraw/zinc/40/12/28/558401228.db2.gz VLZIYULIUXSOTO-JOCHJYFZSA-N 2 1 372.557 2.125 20 10 FECDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000377703622 558401230 /nfs/dbraw/zinc/40/12/30/558401230.db2.gz VLZIYULIUXSOTO-JOCHJYFZSA-N 2 1 372.557 2.125 20 10 FECDMP CN(CCC[N@@H+](C)Cc1cc(Br)ccc1O)CC[NH+](C)C ZINC000809788334 674510253 /nfs/dbraw/zinc/51/02/53/674510253.db2.gz QXOITQNQOXPZSU-UHFFFAOYSA-N 2 1 358.324 2.470 20 10 FECDMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000154886837 544962582 /nfs/dbraw/zinc/96/25/82/544962582.db2.gz YFCVBOFPOVVPHV-INIZCTEOSA-N 2 1 365.493 2.424 20 10 FECDMP COc1cc(O)c(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1OC ZINC000160254892 546022999 /nfs/dbraw/zinc/02/29/99/546022999.db2.gz MMXDPMAOSDAFGQ-QGZVFWFLSA-N 2 1 363.502 2.011 20 10 FECDMP COc1cc(O)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1OC ZINC000160254892 546023006 /nfs/dbraw/zinc/02/30/06/546023006.db2.gz MMXDPMAOSDAFGQ-QGZVFWFLSA-N 2 1 363.502 2.011 20 10 FECDMP COc1cc(O)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1OC ZINC000160254892 546023008 /nfs/dbraw/zinc/02/30/08/546023008.db2.gz MMXDPMAOSDAFGQ-QGZVFWFLSA-N 2 1 363.502 2.011 20 10 FECDMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Br)cc1O ZINC000825284343 675645136 /nfs/dbraw/zinc/64/51/36/675645136.db2.gz YPFKELNNGLWKFO-HNNXBMFYSA-N 2 1 357.292 2.481 20 10 FECDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000768466550 680947839 /nfs/dbraw/zinc/94/78/39/680947839.db2.gz RVBJBSASUQSNAN-MRXNPFEDSA-N 2 1 352.475 2.342 20 10 FECDMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000863646890 683756666 /nfs/dbraw/zinc/75/66/66/683756666.db2.gz RBQMYAYNGPPHPF-NVXWUHKLSA-N 2 1 357.420 2.482 20 10 FECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC[C@H]1C(F)(F)F ZINC000863646890 683756672 /nfs/dbraw/zinc/75/66/72/683756672.db2.gz RBQMYAYNGPPHPF-NVXWUHKLSA-N 2 1 357.420 2.482 20 10 FECDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(OC)c3O)C2)CC1 ZINC000184689284 547866204 /nfs/dbraw/zinc/86/62/04/547866204.db2.gz FXZJHFUZUNZWKF-MRXNPFEDSA-N 2 1 353.894 2.266 20 10 FECDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Br)ccc1O ZINC000289488394 552329587 /nfs/dbraw/zinc/32/95/87/552329587.db2.gz RHWCCZQPOHRKTO-UHFFFAOYSA-N 2 1 356.308 2.224 20 10 FECDMP COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000162785059 546141077 /nfs/dbraw/zinc/14/10/77/546141077.db2.gz XCRDRLLMLJBTBX-MOPGFXCFSA-N 2 1 360.546 2.280 20 10 FECDMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178666834 546829429 /nfs/dbraw/zinc/82/94/29/546829429.db2.gz MBAQAKBHHYVVAC-SFHVURJKSA-N 2 1 358.530 2.492 20 10 FECDMP COc1ccc(N2CCN(CC[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000298484513 553430942 /nfs/dbraw/zinc/43/09/42/553430942.db2.gz PPKRVNISBBEDBO-UHFFFAOYSA-N 2 1 358.530 2.034 20 10 FECDMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843057570 680985018 /nfs/dbraw/zinc/98/50/18/680985018.db2.gz KIEYPAKRRHVFDE-XJKSGUPXSA-N 2 1 351.878 2.126 20 10 FECDMP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC000853248245 682398558 /nfs/dbraw/zinc/39/85/58/682398558.db2.gz PQYHSINTUJCOFK-UHFFFAOYSA-N 2 1 357.857 2.265 20 10 FECDMP CN(C)Cc1csc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000922490478 683733867 /nfs/dbraw/zinc/73/38/67/683733867.db2.gz PLYPBOQRDMWKLP-UHFFFAOYSA-N 2 1 359.543 2.246 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000873227125 685099974 /nfs/dbraw/zinc/09/99/74/685099974.db2.gz BZNOXKZMQBUFHK-RDJZCZTQSA-N 3 1 356.436 2.007 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000873227125 685099980 /nfs/dbraw/zinc/09/99/80/685099980.db2.gz BZNOXKZMQBUFHK-RDJZCZTQSA-N 3 1 356.436 2.007 20 10 FECDMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273585284 550504298 /nfs/dbraw/zinc/50/42/98/550504298.db2.gz NSOZJSHHMIXVSJ-HZPDHXFCSA-N 2 1 363.502 2.103 20 10 FECDMP O=C(CCc1c[nH]cn1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373540266 557713940 /nfs/dbraw/zinc/71/39/40/557713940.db2.gz WGLLHXMDPYVNPM-INIZCTEOSA-N 2 1 362.861 2.482 20 10 FECDMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC[C@@H](C)[NH+](C)C)C1 ZINC000443945324 560096795 /nfs/dbraw/zinc/09/67/95/560096795.db2.gz HAHQQVVLAWXEBY-MRXNPFEDSA-N 2 1 356.514 2.474 20 10 FECDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000371471357 557191528 /nfs/dbraw/zinc/19/15/28/557191528.db2.gz TUXHMEAPHZAEPK-QHAWAJNXSA-N 2 1 359.514 2.207 20 10 FECDMP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000817971852 675188311 /nfs/dbraw/zinc/18/83/11/675188311.db2.gz HWUFWONSRBLKAO-NOZJJQNGSA-N 2 1 353.335 2.157 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000844902192 681092569 /nfs/dbraw/zinc/09/25/69/681092569.db2.gz KSWYZHYOYCRTBP-QRTARXTBSA-N 2 1 350.459 2.128 20 10 FECDMP C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368052770 556205507 /nfs/dbraw/zinc/20/55/07/556205507.db2.gz YQKUTBXFIMGIJX-IBGZPJMESA-N 2 1 372.557 2.124 20 10 FECDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)ccc3O)CC2)CC1 ZINC000093141927 542912216 /nfs/dbraw/zinc/91/22/16/542912216.db2.gz HWKCXIOIOBWWCR-UHFFFAOYSA-N 2 1 359.514 2.467 20 10 FECDMP CSC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC[NH+](C)CC1 ZINC000810170206 674535482 /nfs/dbraw/zinc/53/54/82/674535482.db2.gz IJFICCOUVQVGOV-UHFFFAOYSA-N 2 1 362.587 2.355 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@@H](CO)[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000877694021 686438157 /nfs/dbraw/zinc/43/81/57/686438157.db2.gz XGINCZDIUVYFFI-DOTOQJQBSA-N 2 1 357.420 2.041 20 10 FECDMP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cc(F)cc(F)c1O ZINC000817971854 675188243 /nfs/dbraw/zinc/18/82/43/675188243.db2.gz HWUFWONSRBLKAO-TVQRCGJNSA-N 2 1 353.335 2.157 20 10 FECDMP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(Cl)cc1O ZINC000841755186 680910542 /nfs/dbraw/zinc/91/05/42/680910542.db2.gz HICFVOPMGMSGKI-OAHLLOKOSA-N 2 1 367.921 2.493 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000844911567 681092770 /nfs/dbraw/zinc/09/27/70/681092770.db2.gz PAWCCOQVKJTRJY-UXLLHSPISA-N 2 1 350.459 2.270 20 10 FECDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849051729 681647864 /nfs/dbraw/zinc/64/78/64/681647864.db2.gz GXTRETLXAKYPNN-ZDUSSCGKSA-N 2 1 355.280 2.253 20 10 FECDMP C[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000154018070 544852803 /nfs/dbraw/zinc/85/28/03/544852803.db2.gz GYDAXWIOBFAVMI-QGZVFWFLSA-N 2 1 365.905 2.468 20 10 FECDMP COc1cc(O)c(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)cc1OC ZINC000160234790 546020349 /nfs/dbraw/zinc/02/03/49/546020349.db2.gz RJRGOTUJVSJFDX-AWEZNQCLSA-N 2 1 350.459 2.095 20 10 FECDMP COc1cc(O)c(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)cc1OC ZINC000160234790 546020354 /nfs/dbraw/zinc/02/03/54/546020354.db2.gz RJRGOTUJVSJFDX-AWEZNQCLSA-N 2 1 350.459 2.095 20 10 FECDMP COc1ccc(N2CCC([NH2+]CCCC[N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000160706648 546065299 /nfs/dbraw/zinc/06/52/99/546065299.db2.gz ZHCOBPUKDSRFJD-HXUWFJFHSA-N 2 1 361.530 2.491 20 10 FECDMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Br)c2O)CC12CCOCC2 ZINC000843124437 680989037 /nfs/dbraw/zinc/98/90/37/680989037.db2.gz AUMQYBZPUFHSCB-ZDUSSCGKSA-N 2 1 355.276 2.342 20 10 FECDMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)CC12CCOCC2 ZINC000843124437 680989038 /nfs/dbraw/zinc/98/90/38/680989038.db2.gz AUMQYBZPUFHSCB-ZDUSSCGKSA-N 2 1 355.276 2.342 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1OC ZINC000844911568 681092836 /nfs/dbraw/zinc/09/28/36/681092836.db2.gz PAWCCOQVKJTRJY-ZMSDIMECSA-N 2 1 350.459 2.270 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000775689788 681324205 /nfs/dbraw/zinc/32/42/05/681324205.db2.gz KLCAPQXWUMXZBZ-DLBZAZTESA-N 2 1 357.420 2.326 20 10 FECDMP Cc1cc(Br)c(O)c(C[NH2+]CCCN(C)CC[NH+](C)C)c1 ZINC000857784055 682913990 /nfs/dbraw/zinc/91/39/90/682913990.db2.gz OSEXLXPXSUYNRF-UHFFFAOYSA-N 2 1 358.324 2.436 20 10 FECDMP C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C[C@@H]1n1ccnc1 ZINC000159004611 545913959 /nfs/dbraw/zinc/91/39/59/545913959.db2.gz VVHHGEYCBKSPJS-XLIONFOSSA-N 2 1 369.513 2.491 20 10 FECDMP COc1ccc(N2CCN(CCC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000162785185 546140919 /nfs/dbraw/zinc/14/09/19/546140919.db2.gz XCRDRLLMLJBTBX-OALUTQOASA-N 2 1 360.546 2.280 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1OC ZINC000844902190 681092706 /nfs/dbraw/zinc/09/27/06/681092706.db2.gz KSWYZHYOYCRTBP-JLJPHGGASA-N 2 1 350.459 2.128 20 10 FECDMP C[NH+]1CCC2(CC1)C[N@H+](Cc1c(O)cccc1Br)CCO2 ZINC000862399992 683584171 /nfs/dbraw/zinc/58/41/71/683584171.db2.gz JTDCVGCXMPHDGZ-UHFFFAOYSA-N 2 1 355.276 2.451 20 10 FECDMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1c(O)cccc1Br)CCO2 ZINC000862399992 683584176 /nfs/dbraw/zinc/58/41/76/683584176.db2.gz JTDCVGCXMPHDGZ-UHFFFAOYSA-N 2 1 355.276 2.451 20 10 FECDMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000894377057 689521198 /nfs/dbraw/zinc/52/11/98/689521198.db2.gz XZCSWHHIOOFOEL-UHFFFAOYSA-N 2 1 356.308 2.272 20 10 FECDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Cc3ccc(N)cc3)CC2)CC1 ZINC000366327866 555812914 /nfs/dbraw/zinc/81/29/14/555812914.db2.gz UEGYTODDDUYPNF-UHFFFAOYSA-N 2 1 358.530 2.124 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1)[C@H]1CCC[NH2+]1 ZINC000843058321 680984997 /nfs/dbraw/zinc/98/49/97/680984997.db2.gz RQAVQZRAFVVKCN-IUODEOHRSA-N 2 1 369.868 2.265 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1)[C@H]1CCC[NH2+]1 ZINC000843058321 680984999 /nfs/dbraw/zinc/98/49/99/680984999.db2.gz RQAVQZRAFVVKCN-IUODEOHRSA-N 2 1 369.868 2.265 20 10 FECDMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(O)c1OC ZINC000892232731 689167849 /nfs/dbraw/zinc/16/78/49/689167849.db2.gz BNBWBCFXNGYLHP-YQQAZPJKSA-N 2 1 350.459 2.093 20 10 FECDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cc1ccc(N)cc1 ZINC000366320615 555811069 /nfs/dbraw/zinc/81/10/69/555811069.db2.gz FMTIUVZJHVGWBL-UHFFFAOYSA-N 2 1 372.557 2.466 20 10 FECDMP COc1cc(O)c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1OC ZINC000368052600 556204967 /nfs/dbraw/zinc/20/49/67/556204967.db2.gz XDTNIBQLCILOIF-QGZVFWFLSA-N 2 1 363.502 2.010 20 10 FECDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000371335586 557150889 /nfs/dbraw/zinc/15/08/89/557150889.db2.gz KWUHOICOUKARSO-JOCHJYFZSA-N 2 1 372.557 2.124 20 10 FECDMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1O ZINC000825916009 675674029 /nfs/dbraw/zinc/67/40/29/675674029.db2.gz GZHXPIFMSOYCPE-UHFFFAOYSA-N 2 1 356.308 2.224 20 10 FECDMP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CC1 ZINC000273585286 550504324 /nfs/dbraw/zinc/50/43/24/550504324.db2.gz NSOZJSHHMIXVSJ-JKSUJKDBSA-N 2 1 363.502 2.103 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371362202 557160956 /nfs/dbraw/zinc/16/09/56/557160956.db2.gz YBGXVTLYARSPQR-ZMSDIMECSA-N 2 1 350.459 2.093 20 10 FECDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892146823 689156480 /nfs/dbraw/zinc/15/64/80/689156480.db2.gz YVXWWCQXFJQZJY-INIZCTEOSA-N 2 1 352.475 2.342 20 10 FECDMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000176275843 546426200 /nfs/dbraw/zinc/42/62/00/546426200.db2.gz UPLMAFOOWQCGNQ-IBGZPJMESA-N 2 1 360.546 2.375 20 10 FECDMP COc1ccc(O)c(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000190313835 548322554 /nfs/dbraw/zinc/32/25/54/548322554.db2.gz NWXCBMXXGYRVAS-NRFANRHFSA-N 2 1 356.466 2.470 20 10 FECDMP COc1ccc(O)c(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000190313835 548322557 /nfs/dbraw/zinc/32/25/57/548322557.db2.gz NWXCBMXXGYRVAS-NRFANRHFSA-N 2 1 356.466 2.470 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247984849 549398349 /nfs/dbraw/zinc/39/83/49/549398349.db2.gz IRSRQMLIUBLMDV-UYAOXDASSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247984849 549398351 /nfs/dbraw/zinc/39/83/51/549398351.db2.gz IRSRQMLIUBLMDV-UYAOXDASSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247984849 549398353 /nfs/dbraw/zinc/39/83/53/549398353.db2.gz IRSRQMLIUBLMDV-UYAOXDASSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000247984849 549398354 /nfs/dbraw/zinc/39/83/54/549398354.db2.gz IRSRQMLIUBLMDV-UYAOXDASSA-N 2 1 358.530 2.127 20 10 FECDMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc4c(cc3O)OCO4)CC2)CC1 ZINC000269328443 550181757 /nfs/dbraw/zinc/18/17/57/550181757.db2.gz LTWXQHCAHZCSLB-UHFFFAOYSA-N 2 1 361.486 2.111 20 10 FECDMP COc1cc(O)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000371362199 557161121 /nfs/dbraw/zinc/16/11/21/557161121.db2.gz YBGXVTLYARSPQR-BFYDXBDKSA-N 2 1 350.459 2.093 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843057554 680985008 /nfs/dbraw/zinc/98/50/08/680985008.db2.gz JYYILFANXVILJD-WBMJQRKESA-N 2 1 369.868 2.265 20 10 FECDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892146824 689156581 /nfs/dbraw/zinc/15/65/81/689156581.db2.gz YVXWWCQXFJQZJY-MRXNPFEDSA-N 2 1 352.475 2.342 20 10 FECDMP COc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(O)c1OC ZINC000893101201 689296529 /nfs/dbraw/zinc/29/65/29/689296529.db2.gz KGJHSKXZCHYHOJ-UHFFFAOYSA-N 2 1 352.475 2.388 20 10 FECDMP COc1cc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc(OC)c1OC ZINC000273592660 550504268 /nfs/dbraw/zinc/50/42/68/550504268.db2.gz JOMSBPPMICYHAV-UHFFFAOYSA-N 2 1 374.485 2.430 20 10 FECDMP O=C(NC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000325846479 673051186 /nfs/dbraw/zinc/05/11/86/673051186.db2.gz ZFLKVPNWVFWZLP-CJNGLKHVSA-N 2 1 351.878 2.126 20 10 FECDMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)CC12CCOCC2 ZINC000843124435 680989018 /nfs/dbraw/zinc/98/90/18/680989018.db2.gz AUMQYBZPUFHSCB-CYBMUJFWSA-N 2 1 355.276 2.342 20 10 FECDMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)CC12CCOCC2 ZINC000843124435 680989019 /nfs/dbraw/zinc/98/90/19/680989019.db2.gz AUMQYBZPUFHSCB-CYBMUJFWSA-N 2 1 355.276 2.342 20 10 FECDMP C[NH+]1CCN(c2ccc(C[N@H+]3CC[C@](CO)(C(F)(F)F)C3)cc2)CC1 ZINC000895837182 689778294 /nfs/dbraw/zinc/77/82/94/689778294.db2.gz RZYJTBXWXVIVLF-KRWDZBQOSA-N 2 1 357.420 2.185 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000158708121 545887764 /nfs/dbraw/zinc/88/77/64/545887764.db2.gz IRSRQMLIUBLMDV-ICSRJNTNSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158708121 545887768 /nfs/dbraw/zinc/88/77/68/545887768.db2.gz IRSRQMLIUBLMDV-ICSRJNTNSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158708121 545887774 /nfs/dbraw/zinc/88/77/74/545887774.db2.gz IRSRQMLIUBLMDV-ICSRJNTNSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000158708121 545887778 /nfs/dbraw/zinc/88/77/78/545887778.db2.gz IRSRQMLIUBLMDV-ICSRJNTNSA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000158708121 545887785 /nfs/dbraw/zinc/88/77/85/545887785.db2.gz IRSRQMLIUBLMDV-ICSRJNTNSA-N 2 1 358.530 2.127 20 10 FECDMP C[N@@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000841094624 680863003 /nfs/dbraw/zinc/86/30/03/680863003.db2.gz ZMNWBFVXOQUNFD-AWEZNQCLSA-N 2 1 356.308 2.191 20 10 FECDMP C[N@H+](Cc1ccc(N2CCCCC2)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000841094624 680863004 /nfs/dbraw/zinc/86/30/04/680863004.db2.gz ZMNWBFVXOQUNFD-AWEZNQCLSA-N 2 1 356.308 2.191 20 10 FECDMP COCC[N@H+](Cc1cc(OC)c(OC)cc1O)CC1CC[NH+](C)CC1 ZINC000872632299 684992844 /nfs/dbraw/zinc/99/28/44/684992844.db2.gz YYVKWMHJWNZFNK-UHFFFAOYSA-N 2 1 352.475 2.200 20 10 FECDMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000178666842 546829577 /nfs/dbraw/zinc/82/95/77/546829577.db2.gz MBAQAKBHHYVVAC-GOSISDBHSA-N 2 1 358.530 2.492 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000373108028 557630394 /nfs/dbraw/zinc/63/03/94/557630394.db2.gz ZDYCXIYGOUGLQS-SFHVURJKSA-N 2 1 369.513 2.324 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H](c3nccn3C)C2)cc1 ZINC000373108028 557630395 /nfs/dbraw/zinc/63/03/95/557630395.db2.gz ZDYCXIYGOUGLQS-SFHVURJKSA-N 2 1 369.513 2.324 20 10 FECDMP CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923315700 684261926 /nfs/dbraw/zinc/26/19/26/684261926.db2.gz YEMOATBOOSECJM-AWEZNQCLSA-N 2 1 355.276 2.355 20 10 FECDMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000092665999 542879435 /nfs/dbraw/zinc/87/94/35/542879435.db2.gz BCIOGBGUQSPENE-HOTGVXAUSA-N 2 1 361.486 2.111 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158708277 545887723 /nfs/dbraw/zinc/88/77/23/545887723.db2.gz IRSRQMLIUBLMDV-QUCCMNQESA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158708277 545887726 /nfs/dbraw/zinc/88/77/26/545887726.db2.gz IRSRQMLIUBLMDV-QUCCMNQESA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158708277 545887730 /nfs/dbraw/zinc/88/77/30/545887730.db2.gz IRSRQMLIUBLMDV-QUCCMNQESA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158708277 545887734 /nfs/dbraw/zinc/88/77/34/545887734.db2.gz IRSRQMLIUBLMDV-QUCCMNQESA-N 2 1 358.530 2.127 20 10 FECDMP CN(C)c1ccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158708277 545887740 /nfs/dbraw/zinc/88/77/40/545887740.db2.gz IRSRQMLIUBLMDV-QUCCMNQESA-N 2 1 358.530 2.127 20 10 FECDMP CCN1CCN(c2ccc(CNC(=O)C=Cc3c[nH]cn3)cc2F)CC1 ZINC000283656713 551404424 /nfs/dbraw/zinc/40/44/24/551404424.db2.gz DLRRKGTVAKRYKQ-GQCTYLIASA-N 2 1 357.433 2.020 20 10 FECDMP Cc1cc(Cl)cc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1O ZINC000289877297 552393411 /nfs/dbraw/zinc/39/34/11/552393411.db2.gz RTQYCVKRLALCST-UHFFFAOYSA-N 2 1 365.905 2.340 20 10 FECDMP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cc(Br)c(F)cc1O ZINC000756605717 680488505 /nfs/dbraw/zinc/48/85/05/680488505.db2.gz UPSCACRAMTXAHH-SNVBAGLBSA-N 2 1 361.255 2.401 20 10 FECDMP CC(C)C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(=O)NCC[NH+](C)C ZINC000756858348 680502093 /nfs/dbraw/zinc/50/20/93/680502093.db2.gz OCYGLEUCMCIPKU-LRDDRELGSA-N 2 1 357.445 2.414 20 10 FECDMP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cccc(Br)c1O)CC2 ZINC000904390721 691024030 /nfs/dbraw/zinc/02/40/30/691024030.db2.gz BQDROGDKICXBCB-CYBMUJFWSA-N 2 1 355.276 2.485 20 10 FECDMP