smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000369349654 166242378 /nfs/dbraw/zinc/24/23/78/166242378.db2.gz MYRDNZPUSFXZOX-UHFFFAOYSA-N 2 2 329.360 2.136 10 5 EEBELP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000176245872 464731250 /nfs/dbraw/zinc/73/12/50/464731250.db2.gz CIIYBLYFNFYTTA-INIZCTEOSA-N 2 2 335.452 2.379 10 5 EEBELP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000176245872 464731255 /nfs/dbraw/zinc/73/12/55/464731255.db2.gz CIIYBLYFNFYTTA-INIZCTEOSA-N 2 2 335.452 2.379 10 5 EEBELP Cc1cc[nH+]cc1N1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000340105012 465770875 /nfs/dbraw/zinc/77/08/75/465770875.db2.gz KSHDYVCCLKERRU-UHFFFAOYSA-N 2 2 342.399 2.499 10 5 EEBELP Cc1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c([N+](=O)[O-])c1 ZINC000407996652 467492100 /nfs/dbraw/zinc/49/21/00/467492100.db2.gz SITKYEAQVOPGEV-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP Cc1cnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c([N+](=O)[O-])c1 ZINC000407996652 467492103 /nfs/dbraw/zinc/49/21/03/467492103.db2.gz SITKYEAQVOPGEV-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CC([NH+]3CCCCC3)C1)OCCO2 ZINC000619433592 469604984 /nfs/dbraw/zinc/60/49/84/469604984.db2.gz ZFNVIVLHUKTMMZ-UHFFFAOYSA-N 2 2 347.415 2.473 10 5 EEBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000353626491 466021324 /nfs/dbraw/zinc/02/13/24/466021324.db2.gz ILFVYZUKIPZEPI-NJZAAPMLSA-N 2 2 330.392 2.145 10 5 EEBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000353626491 466021328 /nfs/dbraw/zinc/02/13/28/466021328.db2.gz ILFVYZUKIPZEPI-NJZAAPMLSA-N 2 2 330.392 2.145 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413101 467399819 /nfs/dbraw/zinc/39/98/19/467399819.db2.gz ZRDMDWWKIMHMDK-CABCVRRESA-N 2 2 346.431 2.306 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420413101 467399822 /nfs/dbraw/zinc/39/98/22/467399822.db2.gz ZRDMDWWKIMHMDK-CABCVRRESA-N 2 2 346.431 2.306 10 5 EEBELP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955424 1242703151 /nfs/dbraw/zinc/70/31/51/1242703151.db2.gz RKZGPFQOYHBKIB-GFCCVEGCSA-N 2 2 329.347 2.328 10 5 EEBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000353626493 285169252 /nfs/dbraw/zinc/16/92/52/285169252.db2.gz ILFVYZUKIPZEPI-UXIGCNINSA-N 2 2 330.392 2.145 10 5 EEBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000353626493 285169253 /nfs/dbraw/zinc/16/92/53/285169253.db2.gz ILFVYZUKIPZEPI-UXIGCNINSA-N 2 2 330.392 2.145 10 5 EEBELP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423047684 280357393 /nfs/dbraw/zinc/35/73/93/280357393.db2.gz VIYJTMJTYDJURW-JKSUJKDBSA-N 2 2 339.823 2.147 10 5 EEBELP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)c1 ZINC000423561997 466773981 /nfs/dbraw/zinc/77/39/81/466773981.db2.gz KFKDQNYIRRFTPY-ZWKOTPCHSA-N 2 2 327.384 2.262 10 5 EEBELP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593646760 469077909 /nfs/dbraw/zinc/07/79/09/469077909.db2.gz REXXIYNSUVAOKD-UHFFFAOYSA-N 2 2 337.420 2.434 10 5 EEBELP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000593646760 469077916 /nfs/dbraw/zinc/07/79/16/469077916.db2.gz REXXIYNSUVAOKD-UHFFFAOYSA-N 2 2 337.420 2.434 10 5 EEBELP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C1 ZINC000593726630 469111069 /nfs/dbraw/zinc/11/10/69/469111069.db2.gz QLVNPISQURFHRC-WMLDXEAASA-N 2 2 335.404 2.019 10 5 EEBELP CC1([NH+]2CCOCC2)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599622480 469313070 /nfs/dbraw/zinc/31/30/70/469313070.db2.gz KITPMQRFOCZTIP-UHFFFAOYSA-N 2 2 333.432 2.324 10 5 EEBELP COc1ccc(OCC[NH2+][C@H]2CC[NH2+]C23CCCC3)c([N+](=O)[O-])c1 ZINC000903484500 1240621216 /nfs/dbraw/zinc/62/12/16/1240621216.db2.gz SNXVQGQKUYKKQU-INIZCTEOSA-N 2 2 335.404 2.247 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923537863 789741200 /nfs/dbraw/zinc/74/12/00/789741200.db2.gz DZDBPRSMUCDUMJ-SFHVURJKSA-N 2 2 346.431 2.450 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923537863 789741205 /nfs/dbraw/zinc/74/12/05/789741205.db2.gz DZDBPRSMUCDUMJ-SFHVURJKSA-N 2 2 346.431 2.450 10 5 EEBELP COc1cc(F)c([N+](=O)[O-])c(NCC[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000301558038 294869187 /nfs/dbraw/zinc/86/91/87/294869187.db2.gz SVJOUZMQKGTVQY-UHFFFAOYSA-N 2 2 340.399 2.180 10 5 EEBELP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)c1 ZINC000423561995 466774091 /nfs/dbraw/zinc/77/40/91/466774091.db2.gz KFKDQNYIRRFTPY-QZTJIDSGSA-N 2 2 327.384 2.262 10 5 EEBELP Cc1cc(N2CC[NH2+]C[C@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420269257 467333925 /nfs/dbraw/zinc/33/39/25/467333925.db2.gz SYRITRDEWIZTKM-KRWDZBQOSA-N 2 2 345.378 2.498 10 5 EEBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905276 469075359 /nfs/dbraw/zinc/07/53/59/469075359.db2.gz RUIXWUXZUZQBPS-INIZCTEOSA-N 2 2 337.420 2.146 10 5 EEBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905276 469075365 /nfs/dbraw/zinc/07/53/65/469075365.db2.gz RUIXWUXZUZQBPS-INIZCTEOSA-N 2 2 337.420 2.146 10 5 EEBELP CC[C@@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000870546734 1200736869 /nfs/dbraw/zinc/73/68/69/1200736869.db2.gz CSCCCUHRYIMRBA-ZDUSSCGKSA-N 2 2 332.360 2.278 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245434855 205132911 /nfs/dbraw/zinc/13/29/11/205132911.db2.gz CNFMTSWDUJEBNZ-UONOGXRCSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245434855 205132914 /nfs/dbraw/zinc/13/29/14/205132914.db2.gz CNFMTSWDUJEBNZ-UONOGXRCSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245434855 205132919 /nfs/dbraw/zinc/13/29/19/205132919.db2.gz CNFMTSWDUJEBNZ-UONOGXRCSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245434855 205132922 /nfs/dbraw/zinc/13/29/22/205132922.db2.gz CNFMTSWDUJEBNZ-UONOGXRCSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246332506 160274597 /nfs/dbraw/zinc/27/45/97/160274597.db2.gz SWKRWXFGQZKWMC-IAGOWNOFSA-N 2 2 330.388 2.298 10 5 EEBELP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000810252859 1199404950 /nfs/dbraw/zinc/40/49/50/1199404950.db2.gz KFVCKUVKWUXMIM-CQSZACIVSA-N 2 2 341.415 2.434 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342603085 161077151 /nfs/dbraw/zinc/07/71/51/161077151.db2.gz XKEYNGXYVZCGHH-UHFFFAOYSA-N 2 2 343.387 2.444 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000589516181 468159434 /nfs/dbraw/zinc/15/94/34/468159434.db2.gz LUMCWLCMFRMMCI-CYBMUJFWSA-N 2 2 344.371 2.104 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000589516181 468159436 /nfs/dbraw/zinc/15/94/36/468159436.db2.gz LUMCWLCMFRMMCI-CYBMUJFWSA-N 2 2 344.371 2.104 10 5 EEBELP C[C@@H]1CC[C@@H](N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600711641 468629403 /nfs/dbraw/zinc/62/94/03/468629403.db2.gz TVEBFBROCOPEGM-XNRPHZJLSA-N 2 2 329.404 2.148 10 5 EEBELP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595906743 469075581 /nfs/dbraw/zinc/07/55/81/469075581.db2.gz MPFSLMZLSJMDDM-KRWDZBQOSA-N 2 2 337.420 2.016 10 5 EEBELP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595906743 469075585 /nfs/dbraw/zinc/07/55/85/469075585.db2.gz MPFSLMZLSJMDDM-KRWDZBQOSA-N 2 2 337.420 2.016 10 5 EEBELP O=[N+]([O-])c1c(NC[C@@H](O)C[NH+]2CCCCC2)ccc2c[nH+]ccc21 ZINC000599019887 469091050 /nfs/dbraw/zinc/09/10/50/469091050.db2.gz NWOBEBBWRBTIRJ-CQSZACIVSA-N 2 2 330.388 2.402 10 5 EEBELP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103492661 204081399 /nfs/dbraw/zinc/08/13/99/204081399.db2.gz YYHPNBWPWRZERE-OAHLLOKOSA-N 2 2 348.447 2.142 10 5 EEBELP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807193 466472166 /nfs/dbraw/zinc/47/21/66/466472166.db2.gz GRMRPQKKUXAFQC-ROUUACIJSA-N 2 2 329.400 2.196 10 5 EEBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377799421 467142483 /nfs/dbraw/zinc/14/24/83/467142483.db2.gz UTLARKYIOVJVGV-YPMHNXCESA-N 2 2 343.387 2.182 10 5 EEBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377799421 467142486 /nfs/dbraw/zinc/14/24/86/467142486.db2.gz UTLARKYIOVJVGV-YPMHNXCESA-N 2 2 343.387 2.182 10 5 EEBELP [NH3+]C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOCC1 ZINC000600776267 468655239 /nfs/dbraw/zinc/65/52/39/468655239.db2.gz QQLXFHIIALMUTR-UHFFFAOYSA-N 2 2 348.428 2.316 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245434854 205133017 /nfs/dbraw/zinc/13/30/17/205133017.db2.gz CNFMTSWDUJEBNZ-KBPBESRZSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245434854 205133022 /nfs/dbraw/zinc/13/30/22/205133022.db2.gz CNFMTSWDUJEBNZ-KBPBESRZSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245434854 205133025 /nfs/dbraw/zinc/13/30/25/205133025.db2.gz CNFMTSWDUJEBNZ-KBPBESRZSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245434854 205133030 /nfs/dbraw/zinc/13/30/30/205133030.db2.gz CNFMTSWDUJEBNZ-KBPBESRZSA-N 2 2 334.420 2.256 10 5 EEBELP Cn1cc[nH+]c1[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600712384 468628654 /nfs/dbraw/zinc/62/86/54/468628654.db2.gz XKRYLCQLFMRPLV-HOTGVXAUSA-N 2 2 341.415 2.292 10 5 EEBELP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354932 160394710 /nfs/dbraw/zinc/39/47/10/160394710.db2.gz QYPWDFFRHUAGKW-SWLSCSKDSA-N 2 2 334.376 2.419 10 5 EEBELP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354932 160394712 /nfs/dbraw/zinc/39/47/12/160394712.db2.gz QYPWDFFRHUAGKW-SWLSCSKDSA-N 2 2 334.376 2.419 10 5 EEBELP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354932 160394713 /nfs/dbraw/zinc/39/47/13/160394713.db2.gz QYPWDFFRHUAGKW-SWLSCSKDSA-N 2 2 334.376 2.419 10 5 EEBELP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354932 160394715 /nfs/dbraw/zinc/39/47/15/160394715.db2.gz QYPWDFFRHUAGKW-SWLSCSKDSA-N 2 2 334.376 2.419 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000589497578 468156820 /nfs/dbraw/zinc/15/68/20/468156820.db2.gz NRCKLOYZDGDSMX-UHFFFAOYSA-N 2 2 344.371 2.484 10 5 EEBELP COc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000595905319 469075256 /nfs/dbraw/zinc/07/52/56/469075256.db2.gz BOSVNBUWCFEATN-HNNXBMFYSA-N 2 2 337.420 2.146 10 5 EEBELP COc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000595905319 469075260 /nfs/dbraw/zinc/07/52/60/469075260.db2.gz BOSVNBUWCFEATN-HNNXBMFYSA-N 2 2 337.420 2.146 10 5 EEBELP C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863078 463480145 /nfs/dbraw/zinc/48/01/45/463480145.db2.gz VNGCUMNUADSPEA-UHFFFAOYSA-N 2 2 343.431 2.388 10 5 EEBELP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863078 463480147 /nfs/dbraw/zinc/48/01/47/463480147.db2.gz VNGCUMNUADSPEA-UHFFFAOYSA-N 2 2 343.431 2.388 10 5 EEBELP Cc1cc(N2CC3CC2(C[NH3+])C3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000594699148 468657076 /nfs/dbraw/zinc/65/70/76/468657076.db2.gz QSEHQDAHWXLCRW-UHFFFAOYSA-N 2 2 325.372 2.288 10 5 EEBELP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175872 468771734 /nfs/dbraw/zinc/77/17/34/468771734.db2.gz RCBQNSPCFURTSG-QWHCGFSZSA-N 2 2 330.388 2.034 10 5 EEBELP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175872 468771739 /nfs/dbraw/zinc/77/17/39/468771739.db2.gz RCBQNSPCFURTSG-QWHCGFSZSA-N 2 2 330.388 2.034 10 5 EEBELP O=[N+]([O-])c1c(NC[C@H]2CCC[N@@H+]2CCCO)ccc2c[nH+]ccc21 ZINC000599086318 469113304 /nfs/dbraw/zinc/11/33/04/469113304.db2.gz JKQBMKBXYFUBSB-CQSZACIVSA-N 2 2 330.388 2.402 10 5 EEBELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174890352 464464257 /nfs/dbraw/zinc/46/42/57/464464257.db2.gz ZISKDXFXRQNIPU-GOSISDBHSA-N 2 2 332.448 2.197 10 5 EEBELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174890352 464464271 /nfs/dbraw/zinc/46/42/71/464464271.db2.gz ZISKDXFXRQNIPU-GOSISDBHSA-N 2 2 332.448 2.197 10 5 EEBELP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2ccccc2)c1 ZINC000423561996 466773822 /nfs/dbraw/zinc/77/38/22/466773822.db2.gz KFKDQNYIRRFTPY-ROUUACIJSA-N 2 2 327.384 2.262 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425639 468695662 /nfs/dbraw/zinc/69/56/62/468695662.db2.gz LYJACJAHXDCPHJ-ZFWWWQNUSA-N 2 2 347.415 2.330 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425639 468695665 /nfs/dbraw/zinc/69/56/65/468695665.db2.gz LYJACJAHXDCPHJ-ZFWWWQNUSA-N 2 2 347.415 2.330 10 5 EEBELP C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000069774450 463322025 /nfs/dbraw/zinc/32/20/25/463322025.db2.gz SERXPVFYNBGNID-UHFFFAOYSA-N 2 2 343.431 2.388 10 5 EEBELP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC[NH+](CCn2cccn2)CC1 ZINC000069774450 463322027 /nfs/dbraw/zinc/32/20/27/463322027.db2.gz SERXPVFYNBGNID-UHFFFAOYSA-N 2 2 343.431 2.388 10 5 EEBELP O=[N+]([O-])c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000056494567 463403926 /nfs/dbraw/zinc/40/39/26/463403926.db2.gz XUSNZOGMGZRVOU-UHFFFAOYSA-N 2 2 325.434 2.201 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397071 467393739 /nfs/dbraw/zinc/39/37/39/467393739.db2.gz MFIRGDSGSRPALX-RHSMWYFYSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397071 467393744 /nfs/dbraw/zinc/39/37/44/467393744.db2.gz MFIRGDSGSRPALX-RHSMWYFYSA-N 2 2 346.431 2.306 10 5 EEBELP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593726553 469111592 /nfs/dbraw/zinc/11/15/92/469111592.db2.gz NTQMXUJFFJZKOB-WBVHZDCISA-N 2 2 335.404 2.019 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000589500094 468157120 /nfs/dbraw/zinc/15/71/20/468157120.db2.gz UTTXELDMDJSYSE-UHFFFAOYSA-N 2 2 344.371 2.484 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000589500094 468157126 /nfs/dbraw/zinc/15/71/26/468157126.db2.gz UTTXELDMDJSYSE-UHFFFAOYSA-N 2 2 344.371 2.484 10 5 EEBELP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593726550 469111340 /nfs/dbraw/zinc/11/13/40/469111340.db2.gz NTQMXUJFFJZKOB-DOTOQJQBSA-N 2 2 335.404 2.019 10 5 EEBELP CC1([NH+]2CCOCC2)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000599618628 469311962 /nfs/dbraw/zinc/31/19/62/469311962.db2.gz QGZVGZDUVGNJBZ-UHFFFAOYSA-N 2 2 349.431 2.160 10 5 EEBELP CC[C@@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537135 529198809 /nfs/dbraw/zinc/19/88/09/529198809.db2.gz HPADXRZUOHXETO-WMLDXEAASA-N 2 2 348.447 2.188 10 5 EEBELP CN(C(=O)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866705092 1201585165 /nfs/dbraw/zinc/58/51/65/1201585165.db2.gz SNMYXDSORMIXSI-SFHVURJKSA-N 2 2 348.447 2.255 10 5 EEBELP CN(C(=O)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866705092 1201585168 /nfs/dbraw/zinc/58/51/68/1201585168.db2.gz SNMYXDSORMIXSI-SFHVURJKSA-N 2 2 348.447 2.255 10 5 EEBELP O=[N+]([O-])c1cc(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cs1 ZINC001198613093 1285251796 /nfs/dbraw/zinc/25/17/96/1285251796.db2.gz VSJPVISFVLREOE-UHFFFAOYSA-N 2 2 339.461 2.469 10 5 EEBELP Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000301860748 466048422 /nfs/dbraw/zinc/04/84/22/466048422.db2.gz SZJKIZBHBSUEBQ-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000301860748 466048424 /nfs/dbraw/zinc/04/84/24/466048424.db2.gz SZJKIZBHBSUEBQ-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377799418 467142473 /nfs/dbraw/zinc/14/24/73/467142473.db2.gz UTLARKYIOVJVGV-AAEUAGOBSA-N 2 2 343.387 2.182 10 5 EEBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377799418 467142475 /nfs/dbraw/zinc/14/24/75/467142475.db2.gz UTLARKYIOVJVGV-AAEUAGOBSA-N 2 2 343.387 2.182 10 5 EEBELP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000593739079 469118195 /nfs/dbraw/zinc/11/81/95/469118195.db2.gz VIMNNQQLCOXJBA-MRRJBJDNSA-N 2 2 335.404 2.019 10 5 EEBELP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000593739079 469118201 /nfs/dbraw/zinc/11/82/01/469118201.db2.gz VIMNNQQLCOXJBA-MRRJBJDNSA-N 2 2 335.404 2.019 10 5 EEBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131414288 462809080 /nfs/dbraw/zinc/80/90/80/462809080.db2.gz AXIGEHUKZAZTMD-SUMWQHHRSA-N 2 2 346.431 2.070 10 5 EEBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131414288 462809084 /nfs/dbraw/zinc/80/90/84/462809084.db2.gz AXIGEHUKZAZTMD-SUMWQHHRSA-N 2 2 346.431 2.070 10 5 EEBELP CC(=O)c1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596359702 469250476 /nfs/dbraw/zinc/25/04/76/469250476.db2.gz CBURXAZFEIMIGM-ZDUSSCGKSA-N 2 2 336.436 2.481 10 5 EEBELP CC(=O)c1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596359702 469250478 /nfs/dbraw/zinc/25/04/78/469250478.db2.gz CBURXAZFEIMIGM-ZDUSSCGKSA-N 2 2 336.436 2.481 10 5 EEBELP [NH3+]C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872147457 1198055717 /nfs/dbraw/zinc/05/57/17/1198055717.db2.gz BGICDRHDXZJFNP-GWCFXTLKSA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872147457 1198055725 /nfs/dbraw/zinc/05/57/25/1198055725.db2.gz BGICDRHDXZJFNP-GWCFXTLKSA-N 2 2 333.310 2.043 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923539486 789743994 /nfs/dbraw/zinc/74/39/94/789743994.db2.gz PLVIBLWWOPCFBB-SFHVURJKSA-N 2 2 346.431 2.450 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923539486 789743999 /nfs/dbraw/zinc/74/39/99/789743999.db2.gz PLVIBLWWOPCFBB-SFHVURJKSA-N 2 2 346.431 2.450 10 5 EEBELP C[NH+]1CCC(CNc2ncc([N+](=O)[O-])s2)([NH+]2CCCCC2)CC1 ZINC000190331313 160157907 /nfs/dbraw/zinc/15/79/07/160157907.db2.gz WQCPABFXVRESGU-UHFFFAOYSA-N 2 2 339.465 2.414 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000582486349 468547927 /nfs/dbraw/zinc/54/79/27/468547927.db2.gz KCIKJYWAPPFREC-KRWDZBQOSA-N 2 2 343.387 2.220 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000582486349 468547930 /nfs/dbraw/zinc/54/79/30/468547930.db2.gz KCIKJYWAPPFREC-KRWDZBQOSA-N 2 2 343.387 2.220 10 5 EEBELP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595906744 469075222 /nfs/dbraw/zinc/07/52/22/469075222.db2.gz MPFSLMZLSJMDDM-QGZVFWFLSA-N 2 2 337.420 2.016 10 5 EEBELP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CCO1 ZINC000595906744 469075226 /nfs/dbraw/zinc/07/52/26/469075226.db2.gz MPFSLMZLSJMDDM-QGZVFWFLSA-N 2 2 337.420 2.016 10 5 EEBELP [NH3+]C1CC[NH+](CCNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000721844969 688745139 /nfs/dbraw/zinc/74/51/39/688745139.db2.gz JVPXXESZNWKVJW-UHFFFAOYSA-N 2 2 343.225 2.192 10 5 EEBELP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423047683 240342072 /nfs/dbraw/zinc/34/20/72/240342072.db2.gz VIYJTMJTYDJURW-HZPDHXFCSA-N 2 2 339.823 2.147 10 5 EEBELP COc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065767 275370692 /nfs/dbraw/zinc/37/06/92/275370692.db2.gz CYTQGOOPMUSJPA-QGZVFWFLSA-N 2 2 335.404 2.010 10 5 EEBELP COc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065767 275370695 /nfs/dbraw/zinc/37/06/95/275370695.db2.gz CYTQGOOPMUSJPA-QGZVFWFLSA-N 2 2 335.404 2.010 10 5 EEBELP COc1ccc(OCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065767 275370698 /nfs/dbraw/zinc/37/06/98/275370698.db2.gz CYTQGOOPMUSJPA-QGZVFWFLSA-N 2 2 335.404 2.010 10 5 EEBELP COc1ccc(OCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065767 275370700 /nfs/dbraw/zinc/37/07/00/275370700.db2.gz CYTQGOOPMUSJPA-QGZVFWFLSA-N 2 2 335.404 2.010 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000601335874 468830684 /nfs/dbraw/zinc/83/06/84/468830684.db2.gz ZDQDRNNXPZPDGM-ZFWWWQNUSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000601335874 468830688 /nfs/dbraw/zinc/83/06/88/468830688.db2.gz ZDQDRNNXPZPDGM-ZFWWWQNUSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246306935 160273223 /nfs/dbraw/zinc/27/32/23/160273223.db2.gz QIJBHLGBRZQLNE-WMLDXEAASA-N 2 2 342.399 2.457 10 5 EEBELP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000246306935 160273224 /nfs/dbraw/zinc/27/32/24/160273224.db2.gz QIJBHLGBRZQLNE-WMLDXEAASA-N 2 2 342.399 2.457 10 5 EEBELP CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409940 467398866 /nfs/dbraw/zinc/39/88/66/467398866.db2.gz XRNSVRHZMNAKBR-RHSMWYFYSA-N 2 2 346.431 2.022 10 5 EEBELP CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409940 467398870 /nfs/dbraw/zinc/39/88/70/467398870.db2.gz XRNSVRHZMNAKBR-RHSMWYFYSA-N 2 2 346.431 2.022 10 5 EEBELP Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001560056131 1342506424 /nfs/dbraw/zinc/50/64/24/1342506424.db2.gz YYNFWRALCGXBMF-ZNMIVQPWSA-N 2 2 346.431 2.114 10 5 EEBELP Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001560056131 1342506428 /nfs/dbraw/zinc/50/64/28/1342506428.db2.gz YYNFWRALCGXBMF-ZNMIVQPWSA-N 2 2 346.431 2.114 10 5 EEBELP Cc1c(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001560056131 1342506431 /nfs/dbraw/zinc/50/64/31/1342506431.db2.gz YYNFWRALCGXBMF-ZNMIVQPWSA-N 2 2 346.431 2.114 10 5 EEBELP Cc1c(NC(=O)[C@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001560056131 1342506435 /nfs/dbraw/zinc/50/64/35/1342506435.db2.gz YYNFWRALCGXBMF-ZNMIVQPWSA-N 2 2 346.431 2.114 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000183327670 235010844 /nfs/dbraw/zinc/01/08/44/235010844.db2.gz YTATZAQRLFIOSX-INIZCTEOSA-N 2 2 333.432 2.447 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000183327670 235010848 /nfs/dbraw/zinc/01/08/48/235010848.db2.gz YTATZAQRLFIOSX-INIZCTEOSA-N 2 2 333.432 2.447 10 5 EEBELP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000352781110 162284625 /nfs/dbraw/zinc/28/46/25/162284625.db2.gz XJOCOGNJTNEVGX-HDMKZQKVSA-N 2 2 349.431 2.287 10 5 EEBELP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000352781110 162284627 /nfs/dbraw/zinc/28/46/27/162284627.db2.gz XJOCOGNJTNEVGX-HDMKZQKVSA-N 2 2 349.431 2.287 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000453276190 467474849 /nfs/dbraw/zinc/47/48/49/467474849.db2.gz XLJMMSVLDUZILC-FUHWJXTLSA-N 2 2 333.432 2.409 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000453276190 467474850 /nfs/dbraw/zinc/47/48/50/467474850.db2.gz XLJMMSVLDUZILC-FUHWJXTLSA-N 2 2 333.432 2.409 10 5 EEBELP CCO[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C[NH3+] ZINC000593736694 469118101 /nfs/dbraw/zinc/11/81/01/469118101.db2.gz DZQNQJGRBROUKO-RHSMWYFYSA-N 2 2 337.420 2.178 10 5 EEBELP CCO[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C[NH3+] ZINC000593736694 469118109 /nfs/dbraw/zinc/11/81/09/469118109.db2.gz DZQNQJGRBROUKO-RHSMWYFYSA-N 2 2 337.420 2.178 10 5 EEBELP CC1([NH+]2CCOCC2)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599618559 469312239 /nfs/dbraw/zinc/31/22/39/469312239.db2.gz PUZTUWMCSRDIEF-UHFFFAOYSA-N 2 2 349.431 2.160 10 5 EEBELP CC[C@@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537175 529204485 /nfs/dbraw/zinc/20/44/85/529204485.db2.gz HPADXRZUOHXETO-RHSMWYFYSA-N 2 2 348.447 2.188 10 5 EEBELP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000765850692 577508227 /nfs/dbraw/zinc/50/82/27/577508227.db2.gz ZSSFKQOJOBGPKV-QGZVFWFLSA-N 2 2 342.399 2.282 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173524885 464276329 /nfs/dbraw/zinc/27/63/29/464276329.db2.gz CNFMTSWDUJEBNZ-ZIAGYGMSSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173524885 464276331 /nfs/dbraw/zinc/27/63/31/464276331.db2.gz CNFMTSWDUJEBNZ-ZIAGYGMSSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173524885 464276336 /nfs/dbraw/zinc/27/63/36/464276336.db2.gz CNFMTSWDUJEBNZ-ZIAGYGMSSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173524885 464276341 /nfs/dbraw/zinc/27/63/41/464276341.db2.gz CNFMTSWDUJEBNZ-ZIAGYGMSSA-N 2 2 334.420 2.256 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000453276188 467474992 /nfs/dbraw/zinc/47/49/92/467474992.db2.gz XLJMMSVLDUZILC-AEFFLSMTSA-N 2 2 333.432 2.409 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000453276188 467474994 /nfs/dbraw/zinc/47/49/94/467474994.db2.gz XLJMMSVLDUZILC-AEFFLSMTSA-N 2 2 333.432 2.409 10 5 EEBELP Cn1cc[nH+]c1[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600712386 468628768 /nfs/dbraw/zinc/62/87/68/468628768.db2.gz XKRYLCQLFMRPLV-HZPDHXFCSA-N 2 2 341.415 2.292 10 5 EEBELP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753553 468750570 /nfs/dbraw/zinc/75/05/70/468750570.db2.gz RTFOEDUXKDWJOQ-KBXCAEBGSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753553 468750575 /nfs/dbraw/zinc/75/05/75/468750575.db2.gz RTFOEDUXKDWJOQ-KBXCAEBGSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596030117 469123257 /nfs/dbraw/zinc/12/32/57/469123257.db2.gz JVCSWDZCVRQAEW-ZIAGYGMSSA-N 2 2 331.351 2.236 10 5 EEBELP CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478424 468706207 /nfs/dbraw/zinc/70/62/07/468706207.db2.gz BBSVTPQSSLIUBU-YOEHRIQHSA-N 2 2 346.431 2.022 10 5 EEBELP CN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478424 468706213 /nfs/dbraw/zinc/70/62/13/468706213.db2.gz BBSVTPQSSLIUBU-YOEHRIQHSA-N 2 2 346.431 2.022 10 5 EEBELP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000872231350 1198100676 /nfs/dbraw/zinc/10/06/76/1198100676.db2.gz IMCFHTSWAGOCEK-GOSISDBHSA-N 2 2 343.427 2.486 10 5 EEBELP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000872231350 1198100680 /nfs/dbraw/zinc/10/06/80/1198100680.db2.gz IMCFHTSWAGOCEK-GOSISDBHSA-N 2 2 343.427 2.486 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000565223489 319164162 /nfs/dbraw/zinc/16/41/62/319164162.db2.gz XAWLAIAHANGYFF-UHFFFAOYSA-N 2 2 346.431 2.435 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000565223489 319164164 /nfs/dbraw/zinc/16/41/64/319164164.db2.gz XAWLAIAHANGYFF-UHFFFAOYSA-N 2 2 346.431 2.435 10 5 EEBELP O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422916784 466687134 /nfs/dbraw/zinc/68/71/34/466687134.db2.gz FAYGJMQCVBWJOV-ZWKOTPCHSA-N 2 2 333.432 2.274 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000589501957 468158441 /nfs/dbraw/zinc/15/84/41/468158441.db2.gz LXSNADUBGLEHBL-IUODEOHRSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000589501957 468158443 /nfs/dbraw/zinc/15/84/43/468158443.db2.gz LXSNADUBGLEHBL-IUODEOHRSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000589501957 468158445 /nfs/dbraw/zinc/15/84/45/468158445.db2.gz LXSNADUBGLEHBL-IUODEOHRSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000589501957 468158447 /nfs/dbraw/zinc/15/84/47/468158447.db2.gz LXSNADUBGLEHBL-IUODEOHRSA-N 2 2 335.404 2.296 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374207206 154003930 /nfs/dbraw/zinc/00/39/30/154003930.db2.gz HXTNIPDISQDETP-UHFFFAOYSA-N 2 2 343.387 2.444 10 5 EEBELP COc1cc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473049 468865853 /nfs/dbraw/zinc/86/58/53/468865853.db2.gz SWFJVYZLTSZAEY-INIZCTEOSA-N 2 2 349.431 2.290 10 5 EEBELP COc1cc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473049 468865856 /nfs/dbraw/zinc/86/58/56/468865856.db2.gz SWFJVYZLTSZAEY-INIZCTEOSA-N 2 2 349.431 2.290 10 5 EEBELP [NH3+]C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000872152130 1198059180 /nfs/dbraw/zinc/05/91/80/1198059180.db2.gz ZHXVAPJEPYEDRS-GXFFZTMASA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000872152130 1198059189 /nfs/dbraw/zinc/05/91/89/1198059189.db2.gz ZHXVAPJEPYEDRS-GXFFZTMASA-N 2 2 333.310 2.043 10 5 EEBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255949 1201476777 /nfs/dbraw/zinc/47/67/77/1201476777.db2.gz HFLMQOPKUFUZBE-XJKSGUPXSA-N 2 2 339.411 2.365 10 5 EEBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255949 1201476778 /nfs/dbraw/zinc/47/67/78/1201476778.db2.gz HFLMQOPKUFUZBE-XJKSGUPXSA-N 2 2 339.411 2.365 10 5 EEBELP Cc1c(NC(=O)CC[NH2+][C@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468260 1240563789 /nfs/dbraw/zinc/56/37/89/1240563789.db2.gz JGLOZGOQTPNTQE-HNNXBMFYSA-N 2 2 332.404 2.106 10 5 EEBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001621533040 1352369225 /nfs/dbraw/zinc/36/92/25/1352369225.db2.gz XNJWFURVGFZVPL-ABWVVVHMSA-N 2 2 332.448 2.222 10 5 EEBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001621533040 1352369226 /nfs/dbraw/zinc/36/92/26/1352369226.db2.gz XNJWFURVGFZVPL-ABWVVVHMSA-N 2 2 332.448 2.222 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721822 464983899 /nfs/dbraw/zinc/98/38/99/464983899.db2.gz MYUPTMFFZGEHMB-SJLPKXTDSA-N 2 2 333.432 2.409 10 5 EEBELP Cn1cc[nH+]c1[C@@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423358866 466726989 /nfs/dbraw/zinc/72/69/89/466726989.db2.gz OCAKTFNOZAQZDR-ZBFHGGJFSA-N 2 2 329.404 2.149 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903468017 1240563106 /nfs/dbraw/zinc/56/31/06/1240563106.db2.gz GMNCLAGCBHPRTN-HNNXBMFYSA-N 2 2 332.404 2.106 10 5 EEBELP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174901094 464466581 /nfs/dbraw/zinc/46/65/81/464466581.db2.gz FTNMRQGPOPAGKA-QGZVFWFLSA-N 2 2 332.448 2.197 10 5 EEBELP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174901094 464466586 /nfs/dbraw/zinc/46/65/86/464466586.db2.gz FTNMRQGPOPAGKA-QGZVFWFLSA-N 2 2 332.448 2.197 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000589515149 468158236 /nfs/dbraw/zinc/15/82/36/468158236.db2.gz KGECZBNIIBKOKP-HNNXBMFYSA-N 2 2 335.404 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000589515149 468158239 /nfs/dbraw/zinc/15/82/39/468158239.db2.gz KGECZBNIIBKOKP-HNNXBMFYSA-N 2 2 335.404 2.298 10 5 EEBELP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594717996 468662363 /nfs/dbraw/zinc/66/23/63/468662363.db2.gz JUTWZQPARODYGX-CYBMUJFWSA-N 2 2 334.420 2.386 10 5 EEBELP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594717996 468662365 /nfs/dbraw/zinc/66/23/65/468662365.db2.gz JUTWZQPARODYGX-CYBMUJFWSA-N 2 2 334.420 2.386 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974123 1242811728 /nfs/dbraw/zinc/81/17/28/1242811728.db2.gz MKWGZUHXESMLOW-WMHVBEDNSA-N 2 2 331.416 2.356 10 5 EEBELP Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001560056130 1342506772 /nfs/dbraw/zinc/50/67/72/1342506772.db2.gz YYNFWRALCGXBMF-KFWWJZLASA-N 2 2 346.431 2.114 10 5 EEBELP Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001560056130 1342506775 /nfs/dbraw/zinc/50/67/75/1342506775.db2.gz YYNFWRALCGXBMF-KFWWJZLASA-N 2 2 346.431 2.114 10 5 EEBELP Cc1c(NC(=O)[C@@H](C)[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001560056130 1342506778 /nfs/dbraw/zinc/50/67/78/1342506778.db2.gz YYNFWRALCGXBMF-KFWWJZLASA-N 2 2 346.431 2.114 10 5 EEBELP Cc1c(NC(=O)[C@@H](C)[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001560056130 1342506781 /nfs/dbraw/zinc/50/67/81/1342506781.db2.gz YYNFWRALCGXBMF-KFWWJZLASA-N 2 2 346.431 2.114 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597236496 468490890 /nfs/dbraw/zinc/49/08/90/468490890.db2.gz RAGASHOHKUHQEK-IVZVJUQRSA-N 2 2 331.416 2.139 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000597236496 468490895 /nfs/dbraw/zinc/49/08/95/468490895.db2.gz RAGASHOHKUHQEK-IVZVJUQRSA-N 2 2 331.416 2.139 10 5 EEBELP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601333188 468829511 /nfs/dbraw/zinc/82/95/11/468829511.db2.gz CDCGOWHUIWISMH-PBHICJAKSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601333188 468829512 /nfs/dbraw/zinc/82/95/12/468829512.db2.gz CDCGOWHUIWISMH-PBHICJAKSA-N 2 2 346.431 2.306 10 5 EEBELP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593726552 469111495 /nfs/dbraw/zinc/11/14/95/469111495.db2.gz NTQMXUJFFJZKOB-RDJZCZTQSA-N 2 2 335.404 2.019 10 5 EEBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377799419 467142526 /nfs/dbraw/zinc/14/25/26/467142526.db2.gz UTLARKYIOVJVGV-DGCLKSJQSA-N 2 2 343.387 2.182 10 5 EEBELP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377799419 467142528 /nfs/dbraw/zinc/14/25/28/467142528.db2.gz UTLARKYIOVJVGV-DGCLKSJQSA-N 2 2 343.387 2.182 10 5 EEBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377799420 467142533 /nfs/dbraw/zinc/14/25/33/467142533.db2.gz UTLARKYIOVJVGV-WCQYABFASA-N 2 2 343.387 2.182 10 5 EEBELP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377799420 467142536 /nfs/dbraw/zinc/14/25/36/467142536.db2.gz UTLARKYIOVJVGV-WCQYABFASA-N 2 2 343.387 2.182 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402139 467396372 /nfs/dbraw/zinc/39/63/72/467396372.db2.gz QHXVBBXRFNDSGR-PBHICJAKSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420402139 467396376 /nfs/dbraw/zinc/39/63/76/467396376.db2.gz QHXVBBXRFNDSGR-PBHICJAKSA-N 2 2 346.431 2.306 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000589516098 468159270 /nfs/dbraw/zinc/15/92/70/468159270.db2.gz AVKIVFUSKGGNNY-UHFFFAOYSA-N 2 2 332.360 2.100 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000589516098 468159273 /nfs/dbraw/zinc/15/92/73/468159273.db2.gz AVKIVFUSKGGNNY-UHFFFAOYSA-N 2 2 332.360 2.100 10 5 EEBELP O=[N+]([O-])c1ccc2[nH+]ccc(NCCCC[NH+]3CCOCC3)c2c1 ZINC000601104947 468742450 /nfs/dbraw/zinc/74/24/50/468742450.db2.gz NTCRZMFQBPIPBG-UHFFFAOYSA-N 2 2 330.388 2.089 10 5 EEBELP Cc1cc(N(C)CC2C[NH+](C)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000596454860 469272273 /nfs/dbraw/zinc/27/22/73/469272273.db2.gz VCGRBFNXXZZLJV-UHFFFAOYSA-N 2 2 327.388 2.358 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246982512 243345427 /nfs/dbraw/zinc/34/54/27/243345427.db2.gz SJPCSEIDKUVXKD-UONOGXRCSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246982512 243345430 /nfs/dbraw/zinc/34/54/30/243345430.db2.gz SJPCSEIDKUVXKD-UONOGXRCSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246982512 243345436 /nfs/dbraw/zinc/34/54/36/243345436.db2.gz SJPCSEIDKUVXKD-UONOGXRCSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246982512 243345440 /nfs/dbraw/zinc/34/54/40/243345440.db2.gz SJPCSEIDKUVXKD-UONOGXRCSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178750090 463962380 /nfs/dbraw/zinc/96/23/80/463962380.db2.gz PEUOTWRXJREMQU-CQSZACIVSA-N 2 2 343.387 2.203 10 5 EEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178750090 463962382 /nfs/dbraw/zinc/96/23/82/463962382.db2.gz PEUOTWRXJREMQU-CQSZACIVSA-N 2 2 343.387 2.203 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000595042556 468748337 /nfs/dbraw/zinc/74/83/37/468748337.db2.gz SVGYLBYOJYELGW-DZGCQCFKSA-N 2 2 337.420 2.101 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000595042556 468748342 /nfs/dbraw/zinc/74/83/42/468748342.db2.gz SVGYLBYOJYELGW-DZGCQCFKSA-N 2 2 337.420 2.101 10 5 EEBELP C[NH+](C)CCC[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596424266 485612950 /nfs/dbraw/zinc/61/29/50/485612950.db2.gz FDQNLOVYJVDNTA-UHFFFAOYSA-N 2 2 349.357 2.304 10 5 EEBELP C[NH+](C)CCC[N@@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000596424266 485612956 /nfs/dbraw/zinc/61/29/56/485612956.db2.gz FDQNLOVYJVDNTA-UHFFFAOYSA-N 2 2 349.357 2.304 10 5 EEBELP CN(C(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866705091 1201585593 /nfs/dbraw/zinc/58/55/93/1201585593.db2.gz SNMYXDSORMIXSI-GOSISDBHSA-N 2 2 348.447 2.255 10 5 EEBELP CN(C(=O)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000866705091 1201585596 /nfs/dbraw/zinc/58/55/96/1201585596.db2.gz SNMYXDSORMIXSI-GOSISDBHSA-N 2 2 348.447 2.255 10 5 EEBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567506666 319386166 /nfs/dbraw/zinc/38/61/66/319386166.db2.gz YOKXYVHBXZEZSP-AWEZNQCLSA-N 2 2 333.432 2.482 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000589501955 468158345 /nfs/dbraw/zinc/15/83/45/468158345.db2.gz LXSNADUBGLEHBL-DOMZBBRYSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000589501955 468158348 /nfs/dbraw/zinc/15/83/48/468158348.db2.gz LXSNADUBGLEHBL-DOMZBBRYSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000589501955 468158350 /nfs/dbraw/zinc/15/83/50/468158350.db2.gz LXSNADUBGLEHBL-DOMZBBRYSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000589501955 468158357 /nfs/dbraw/zinc/15/83/57/468158357.db2.gz LXSNADUBGLEHBL-DOMZBBRYSA-N 2 2 335.404 2.296 10 5 EEBELP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594717997 468662084 /nfs/dbraw/zinc/66/20/84/468662084.db2.gz JUTWZQPARODYGX-ZDUSSCGKSA-N 2 2 334.420 2.386 10 5 EEBELP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000594717997 468662088 /nfs/dbraw/zinc/66/20/88/468662088.db2.gz JUTWZQPARODYGX-ZDUSSCGKSA-N 2 2 334.420 2.386 10 5 EEBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779349 527830831 /nfs/dbraw/zinc/83/08/31/527830831.db2.gz QVSJBEFJNWYLJN-HIFRSBDPSA-N 2 2 334.420 2.195 10 5 EEBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779349 527830837 /nfs/dbraw/zinc/83/08/37/527830837.db2.gz QVSJBEFJNWYLJN-HIFRSBDPSA-N 2 2 334.420 2.195 10 5 EEBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779349 527830839 /nfs/dbraw/zinc/83/08/39/527830839.db2.gz QVSJBEFJNWYLJN-HIFRSBDPSA-N 2 2 334.420 2.195 10 5 EEBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779349 527830841 /nfs/dbraw/zinc/83/08/41/527830841.db2.gz QVSJBEFJNWYLJN-HIFRSBDPSA-N 2 2 334.420 2.195 10 5 EEBELP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261886644 682017382 /nfs/dbraw/zinc/01/73/82/682017382.db2.gz FZLBFOJJTAEUAW-NUEKZKHPSA-N 2 2 339.823 2.495 10 5 EEBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353625795 278222309 /nfs/dbraw/zinc/22/23/09/278222309.db2.gz GXHMDSBOMIHAIE-WCQYABFASA-N 2 2 343.387 2.182 10 5 EEBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353625795 278222311 /nfs/dbraw/zinc/22/23/11/278222311.db2.gz GXHMDSBOMIHAIE-WCQYABFASA-N 2 2 343.387 2.182 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000595042568 468748519 /nfs/dbraw/zinc/74/85/19/468748519.db2.gz SVGYLBYOJYELGW-ZFWWWQNUSA-N 2 2 337.420 2.101 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000595042568 468748520 /nfs/dbraw/zinc/74/85/20/468748520.db2.gz SVGYLBYOJYELGW-ZFWWWQNUSA-N 2 2 337.420 2.101 10 5 EEBELP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905277 469074944 /nfs/dbraw/zinc/07/49/44/469074944.db2.gz RUIXWUXZUZQBPS-MRXNPFEDSA-N 2 2 337.420 2.146 10 5 EEBELP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905277 469074954 /nfs/dbraw/zinc/07/49/54/469074954.db2.gz RUIXWUXZUZQBPS-MRXNPFEDSA-N 2 2 337.420 2.146 10 5 EEBELP C[N@@H+]1C[C@]23C[NH+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001660700424 1354520194 /nfs/dbraw/zinc/52/01/94/1354520194.db2.gz JEIRSSRSDQMWEB-QRVBRYPASA-N 2 2 345.443 2.436 10 5 EEBELP C[N@H+]1C[C@]23C[NH+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001660700424 1354520196 /nfs/dbraw/zinc/52/01/96/1354520196.db2.gz JEIRSSRSDQMWEB-QRVBRYPASA-N 2 2 345.443 2.436 10 5 EEBELP C[NH+]1C[C@]23C[N@H+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001660700424 1354520198 /nfs/dbraw/zinc/52/01/98/1354520198.db2.gz JEIRSSRSDQMWEB-QRVBRYPASA-N 2 2 345.443 2.436 10 5 EEBELP C[NH+]1C[C@]23C[N@@H+](C[C@@H](O)c4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001660700424 1354520200 /nfs/dbraw/zinc/52/02/00/1354520200.db2.gz JEIRSSRSDQMWEB-QRVBRYPASA-N 2 2 345.443 2.436 10 5 EEBELP Cc1c(NC(=O)CC[NH+]2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000127871790 292332024 /nfs/dbraw/zinc/33/20/24/292332024.db2.gz VJWXGZOPNCUIIX-UHFFFAOYSA-N 2 2 334.420 2.258 10 5 EEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000362406277 465713306 /nfs/dbraw/zinc/71/33/06/465713306.db2.gz AXIGEHUKZAZTMD-DYVFJYSZSA-N 2 2 346.431 2.070 10 5 EEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000362406277 465713309 /nfs/dbraw/zinc/71/33/09/465713309.db2.gz AXIGEHUKZAZTMD-DYVFJYSZSA-N 2 2 346.431 2.070 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000589501958 468158639 /nfs/dbraw/zinc/15/86/39/468158639.db2.gz LXSNADUBGLEHBL-SWLSCSKDSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000589501958 468158644 /nfs/dbraw/zinc/15/86/44/468158644.db2.gz LXSNADUBGLEHBL-SWLSCSKDSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000589501958 468158646 /nfs/dbraw/zinc/15/86/46/468158646.db2.gz LXSNADUBGLEHBL-SWLSCSKDSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000589501958 468158653 /nfs/dbraw/zinc/15/86/53/468158653.db2.gz LXSNADUBGLEHBL-SWLSCSKDSA-N 2 2 335.404 2.296 10 5 EEBELP Cn1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600768892 468652148 /nfs/dbraw/zinc/65/21/48/468652148.db2.gz HOYFYXYFGLYYBE-MRXNPFEDSA-N 2 2 341.415 2.370 10 5 EEBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389400 467635802 /nfs/dbraw/zinc/63/58/02/467635802.db2.gz CMXNRFPVGIYTQA-HAZIXKIPSA-N 2 2 333.432 2.435 10 5 EEBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389400 467635803 /nfs/dbraw/zinc/63/58/03/467635803.db2.gz CMXNRFPVGIYTQA-HAZIXKIPSA-N 2 2 333.432 2.435 10 5 EEBELP COc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000595906562 469074737 /nfs/dbraw/zinc/07/47/37/469074737.db2.gz LAMGVWPZYFTPLR-HNNXBMFYSA-N 2 2 337.420 2.146 10 5 EEBELP COc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000595906562 469074743 /nfs/dbraw/zinc/07/47/43/469074743.db2.gz LAMGVWPZYFTPLR-HNNXBMFYSA-N 2 2 337.420 2.146 10 5 EEBELP O=[N+]([O-])c1c(NC[C@@H]2CCC[N@@H+]2CCCO)ccc2c[nH+]ccc21 ZINC000599086317 469113048 /nfs/dbraw/zinc/11/30/48/469113048.db2.gz JKQBMKBXYFUBSB-AWEZNQCLSA-N 2 2 330.388 2.402 10 5 EEBELP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422916781 240288568 /nfs/dbraw/zinc/28/85/68/240288568.db2.gz FAYGJMQCVBWJOV-MSOLQXFVSA-N 2 2 333.432 2.274 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721808 464984872 /nfs/dbraw/zinc/98/48/72/464984872.db2.gz MYUPTMFFZGEHMB-WMZOPIPTSA-N 2 2 333.432 2.409 10 5 EEBELP C[C@@H]1CC[C@H](N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600712175 468629263 /nfs/dbraw/zinc/62/92/63/468629263.db2.gz XJHJYLKVFWPWRH-INWMFGNUSA-N 2 2 329.404 2.148 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425633 468696021 /nfs/dbraw/zinc/69/60/21/468696021.db2.gz LYJACJAHXDCPHJ-HIFRSBDPSA-N 2 2 347.415 2.330 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425633 468696022 /nfs/dbraw/zinc/69/60/22/468696022.db2.gz LYJACJAHXDCPHJ-HIFRSBDPSA-N 2 2 347.415 2.330 10 5 EEBELP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753556 468750670 /nfs/dbraw/zinc/75/06/70/468750670.db2.gz RTFOEDUXKDWJOQ-RDTXWAMCSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753556 468750674 /nfs/dbraw/zinc/75/06/74/468750674.db2.gz RTFOEDUXKDWJOQ-RDTXWAMCSA-N 2 2 346.431 2.306 10 5 EEBELP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728656 469111217 /nfs/dbraw/zinc/11/12/17/469111217.db2.gz BIIAQXCNUAOSIV-COXVUDFISA-N 2 2 335.404 2.161 10 5 EEBELP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728656 469111224 /nfs/dbraw/zinc/11/12/24/469111224.db2.gz BIIAQXCNUAOSIV-COXVUDFISA-N 2 2 335.404 2.161 10 5 EEBELP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1[N+](=O)[O-] ZINC000611516371 469270854 /nfs/dbraw/zinc/27/08/54/469270854.db2.gz MEAZNOPXABMSAJ-UHFFFAOYSA-N 2 2 328.372 2.321 10 5 EEBELP Cc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000872231351 1198100700 /nfs/dbraw/zinc/10/07/00/1198100700.db2.gz IMCFHTSWAGOCEK-SFHVURJKSA-N 2 2 343.427 2.486 10 5 EEBELP Cc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000872231351 1198100703 /nfs/dbraw/zinc/10/07/03/1198100703.db2.gz IMCFHTSWAGOCEK-SFHVURJKSA-N 2 2 343.427 2.486 10 5 EEBELP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000104080266 159282204 /nfs/dbraw/zinc/28/22/04/159282204.db2.gz BLPBUWITNXQLAO-UHFFFAOYSA-N 2 2 346.431 2.484 10 5 EEBELP COc1cc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414842227 313100912 /nfs/dbraw/zinc/10/09/12/313100912.db2.gz YTZPJELXPUWJIQ-CQSZACIVSA-N 2 2 331.372 2.402 10 5 EEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178750075 463962487 /nfs/dbraw/zinc/96/24/87/463962487.db2.gz PEUOTWRXJREMQU-AWEZNQCLSA-N 2 2 343.387 2.203 10 5 EEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178750075 463962490 /nfs/dbraw/zinc/96/24/90/463962490.db2.gz PEUOTWRXJREMQU-AWEZNQCLSA-N 2 2 343.387 2.203 10 5 EEBELP CCOc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592184167 468647820 /nfs/dbraw/zinc/64/78/20/468647820.db2.gz FFFCILUEQOYCKF-UHFFFAOYSA-N 2 2 349.431 2.290 10 5 EEBELP CCOc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000592184167 468647825 /nfs/dbraw/zinc/64/78/25/468647825.db2.gz FFFCILUEQOYCKF-UHFFFAOYSA-N 2 2 349.431 2.290 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000601335871 468830783 /nfs/dbraw/zinc/83/07/83/468830783.db2.gz ZDQDRNNXPZPDGM-DZGCQCFKSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000601335871 468830788 /nfs/dbraw/zinc/83/07/88/468830788.db2.gz ZDQDRNNXPZPDGM-DZGCQCFKSA-N 2 2 343.387 2.219 10 5 EEBELP [NH3+]C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000872152129 1198059077 /nfs/dbraw/zinc/05/90/77/1198059077.db2.gz ZHXVAPJEPYEDRS-GWCFXTLKSA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000872152129 1198059084 /nfs/dbraw/zinc/05/90/84/1198059084.db2.gz ZHXVAPJEPYEDRS-GWCFXTLKSA-N 2 2 333.310 2.043 10 5 EEBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413054 1201511310 /nfs/dbraw/zinc/51/13/10/1201511310.db2.gz FLWJHTQPOIBRMD-HOCLYGCPSA-N 2 2 335.448 2.351 10 5 EEBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413054 1201511315 /nfs/dbraw/zinc/51/13/15/1201511315.db2.gz FLWJHTQPOIBRMD-HOCLYGCPSA-N 2 2 335.448 2.351 10 5 EEBELP Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923539003 789742530 /nfs/dbraw/zinc/74/25/30/789742530.db2.gz MGIISBUMWNNVQY-SFHVURJKSA-N 2 2 346.431 2.450 10 5 EEBELP Cc1c(NC(=O)CC[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923539003 789742534 /nfs/dbraw/zinc/74/25/34/789742534.db2.gz MGIISBUMWNNVQY-SFHVURJKSA-N 2 2 346.431 2.450 10 5 EEBELP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354931 160395163 /nfs/dbraw/zinc/39/51/63/160395163.db2.gz QYPWDFFRHUAGKW-IUODEOHRSA-N 2 2 334.376 2.419 10 5 EEBELP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354931 160395164 /nfs/dbraw/zinc/39/51/64/160395164.db2.gz QYPWDFFRHUAGKW-IUODEOHRSA-N 2 2 334.376 2.419 10 5 EEBELP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354931 160395165 /nfs/dbraw/zinc/39/51/65/160395165.db2.gz QYPWDFFRHUAGKW-IUODEOHRSA-N 2 2 334.376 2.419 10 5 EEBELP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC[C@H]21 ZINC000253354931 160395166 /nfs/dbraw/zinc/39/51/66/160395166.db2.gz QYPWDFFRHUAGKW-IUODEOHRSA-N 2 2 334.376 2.419 10 5 EEBELP Cn1cc[nH+]c1[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709683 468628125 /nfs/dbraw/zinc/62/81/25/468628125.db2.gz PNKCMMGTRDSVOV-HOTGVXAUSA-N 2 2 341.415 2.292 10 5 EEBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033605 468747228 /nfs/dbraw/zinc/74/72/28/468747228.db2.gz GZRVPXGNAHHAIR-HIFRSBDPSA-N 2 2 337.420 2.365 10 5 EEBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033605 468747234 /nfs/dbraw/zinc/74/72/34/468747234.db2.gz GZRVPXGNAHHAIR-HIFRSBDPSA-N 2 2 337.420 2.365 10 5 EEBELP COc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420367958 467380726 /nfs/dbraw/zinc/38/07/26/467380726.db2.gz KCMWAYNLKKFISS-QGZVFWFLSA-N 2 2 335.404 2.058 10 5 EEBELP COc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420367958 467380727 /nfs/dbraw/zinc/38/07/27/467380727.db2.gz KCMWAYNLKKFISS-QGZVFWFLSA-N 2 2 335.404 2.058 10 5 EEBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449389403 467635977 /nfs/dbraw/zinc/63/59/77/467635977.db2.gz CMXNRFPVGIYTQA-VHUCWBOISA-N 2 2 333.432 2.435 10 5 EEBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449389403 467635978 /nfs/dbraw/zinc/63/59/78/467635978.db2.gz CMXNRFPVGIYTQA-VHUCWBOISA-N 2 2 333.432 2.435 10 5 EEBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476523 468706794 /nfs/dbraw/zinc/70/67/94/468706794.db2.gz XKYLTWSXTSVNLO-JKIFEVAISA-N 2 2 346.431 2.386 10 5 EEBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476523 468706798 /nfs/dbraw/zinc/70/67/98/468706798.db2.gz XKYLTWSXTSVNLO-JKIFEVAISA-N 2 2 346.431 2.386 10 5 EEBELP O=[N+]([O-])c1c(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)ccc2c[nH+]ccc21 ZINC000599082888 469110933 /nfs/dbraw/zinc/11/09/33/469110933.db2.gz DQFBWWQKEPDGDC-OKILXGFUSA-N 2 2 328.372 2.418 10 5 EEBELP O=[N+]([O-])c1c(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)ccc2c[nH+]ccc21 ZINC000599082888 469110935 /nfs/dbraw/zinc/11/09/35/469110935.db2.gz DQFBWWQKEPDGDC-OKILXGFUSA-N 2 2 328.372 2.418 10 5 EEBELP C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189896232 533877746 /nfs/dbraw/zinc/87/77/46/533877746.db2.gz WEZBQMGLROEDMI-ZDUSSCGKSA-N 2 2 326.360 2.328 10 5 EEBELP COc1cc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c([N+](=O)[O-])cc1OC ZINC000414842224 313100880 /nfs/dbraw/zinc/10/08/80/313100880.db2.gz YTZPJELXPUWJIQ-AWEZNQCLSA-N 2 2 331.372 2.402 10 5 EEBELP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807194 466471975 /nfs/dbraw/zinc/47/19/75/466471975.db2.gz GRMRPQKKUXAFQC-ZWKOTPCHSA-N 2 2 329.400 2.196 10 5 EEBELP C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189901480 533876693 /nfs/dbraw/zinc/87/66/93/533876693.db2.gz UJMITLKOJRUMDM-ZDUSSCGKSA-N 2 2 326.360 2.328 10 5 EEBELP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955425 1242702260 /nfs/dbraw/zinc/70/22/60/1242702260.db2.gz RKZGPFQOYHBKIB-LBPRGKRZSA-N 2 2 329.347 2.328 10 5 EEBELP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001560139691 1342508644 /nfs/dbraw/zinc/50/86/44/1342508644.db2.gz GTLFVTNQNHYDBV-UHFFFAOYSA-N 2 2 349.431 2.207 10 5 EEBELP C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322400 154050339 /nfs/dbraw/zinc/05/03/39/154050339.db2.gz CPXWCJAMNNMYGE-ZFWWWQNUSA-N 2 2 338.477 2.114 10 5 EEBELP C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322400 154050342 /nfs/dbraw/zinc/05/03/42/154050342.db2.gz CPXWCJAMNNMYGE-ZFWWWQNUSA-N 2 2 338.477 2.114 10 5 EEBELP [NH3+]CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000261664344 463820282 /nfs/dbraw/zinc/82/02/82/463820282.db2.gz BHCPWQPOACQWBK-UHFFFAOYSA-N 2 2 329.400 2.477 10 5 EEBELP [NH3+]CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1 ZINC000261664344 463820286 /nfs/dbraw/zinc/82/02/86/463820286.db2.gz BHCPWQPOACQWBK-UHFFFAOYSA-N 2 2 329.400 2.477 10 5 EEBELP O=[N+]([O-])c1ccc(CCCC[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422916782 285110560 /nfs/dbraw/zinc/11/05/60/285110560.db2.gz FAYGJMQCVBWJOV-QZTJIDSGSA-N 2 2 333.432 2.274 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000127918459 292332620 /nfs/dbraw/zinc/33/26/20/292332620.db2.gz HFALDPRDGUBKSZ-UHFFFAOYSA-N 2 2 334.420 2.258 10 5 EEBELP CN(C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478422 468706183 /nfs/dbraw/zinc/70/61/83/468706183.db2.gz BBSVTPQSSLIUBU-RHSMWYFYSA-N 2 2 346.431 2.022 10 5 EEBELP CN(C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478422 468706186 /nfs/dbraw/zinc/70/61/86/468706186.db2.gz BBSVTPQSSLIUBU-RHSMWYFYSA-N 2 2 346.431 2.022 10 5 EEBELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000903529403 1240814787 /nfs/dbraw/zinc/81/47/87/1240814787.db2.gz BDKODRQXPKJLBQ-AWEZNQCLSA-N 2 2 334.420 2.306 10 5 EEBELP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000903529403 1240814796 /nfs/dbraw/zinc/81/47/96/1240814796.db2.gz BDKODRQXPKJLBQ-AWEZNQCLSA-N 2 2 334.420 2.306 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434998896 314878219 /nfs/dbraw/zinc/87/82/19/314878219.db2.gz DHJGDEKSKUXPBU-UHFFFAOYSA-N 2 2 343.387 2.444 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864212 469052248 /nfs/dbraw/zinc/05/22/48/469052248.db2.gz RCHOESSWUJBTIG-WMLDXEAASA-N 2 2 333.432 2.495 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595864212 469052253 /nfs/dbraw/zinc/05/22/53/469052253.db2.gz RCHOESSWUJBTIG-WMLDXEAASA-N 2 2 333.432 2.495 10 5 EEBELP Nc1cc[nH+]c2c1C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000931509948 1207401312 /nfs/dbraw/zinc/40/13/12/1207401312.db2.gz CAXFXTASHVHWGT-UHFFFAOYSA-N 2 2 328.372 2.399 10 5 EEBELP Nc1cc[nH+]c2c1C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000931509948 1207401314 /nfs/dbraw/zinc/40/13/14/1207401314.db2.gz CAXFXTASHVHWGT-UHFFFAOYSA-N 2 2 328.372 2.399 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000589505128 468158434 /nfs/dbraw/zinc/15/84/34/468158434.db2.gz BOBHNXZNZHYVIX-HOCLYGCPSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000589505128 468158435 /nfs/dbraw/zinc/15/84/35/468158435.db2.gz BOBHNXZNZHYVIX-HOCLYGCPSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000589505128 468158437 /nfs/dbraw/zinc/15/84/37/468158437.db2.gz BOBHNXZNZHYVIX-HOCLYGCPSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000589505128 468158438 /nfs/dbraw/zinc/15/84/38/468158438.db2.gz BOBHNXZNZHYVIX-HOCLYGCPSA-N 2 2 347.415 2.298 10 5 EEBELP C[NH+](C)C[C@@]1(O)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000601188604 468776121 /nfs/dbraw/zinc/77/61/21/468776121.db2.gz KMZLCKAMJGFRPG-KRWDZBQOSA-N 2 2 330.388 2.036 10 5 EEBELP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000593739081 469118282 /nfs/dbraw/zinc/11/82/82/469118282.db2.gz VIMNNQQLCOXJBA-SUYBPPKGSA-N 2 2 335.404 2.019 10 5 EEBELP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000593739081 469118286 /nfs/dbraw/zinc/11/82/86/469118286.db2.gz VIMNNQQLCOXJBA-SUYBPPKGSA-N 2 2 335.404 2.019 10 5 EEBELP C[NH+](C)CCC[N@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596425712 469262770 /nfs/dbraw/zinc/26/27/70/469262770.db2.gz WBFDUPOFWYDCDW-UHFFFAOYSA-N 2 2 335.452 2.164 10 5 EEBELP C[NH+](C)CCC[N@@H+](C)CCNc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000596425712 469262772 /nfs/dbraw/zinc/26/27/72/469262772.db2.gz WBFDUPOFWYDCDW-UHFFFAOYSA-N 2 2 335.452 2.164 10 5 EEBELP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352781113 162284682 /nfs/dbraw/zinc/28/46/82/162284682.db2.gz XJOCOGNJTNEVGX-RVKKMQEKSA-N 2 2 349.431 2.287 10 5 EEBELP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352781113 162284684 /nfs/dbraw/zinc/28/46/84/162284684.db2.gz XJOCOGNJTNEVGX-RVKKMQEKSA-N 2 2 349.431 2.287 10 5 EEBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353625791 466021590 /nfs/dbraw/zinc/02/15/90/466021590.db2.gz GXHMDSBOMIHAIE-AAEUAGOBSA-N 2 2 343.387 2.182 10 5 EEBELP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353625791 466021596 /nfs/dbraw/zinc/02/15/96/466021596.db2.gz GXHMDSBOMIHAIE-AAEUAGOBSA-N 2 2 343.387 2.182 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000589502289 468158114 /nfs/dbraw/zinc/15/81/14/468158114.db2.gz SUCDMVACWKSWKV-CQSZACIVSA-N 2 2 347.415 2.299 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000589502289 468158120 /nfs/dbraw/zinc/15/81/20/468158120.db2.gz SUCDMVACWKSWKV-CQSZACIVSA-N 2 2 347.415 2.299 10 5 EEBELP Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000611616379 469293204 /nfs/dbraw/zinc/29/32/04/469293204.db2.gz JKAGUVUXSVHHJB-AWEZNQCLSA-N 2 2 333.436 2.187 10 5 EEBELP Cc1cc(C)c([N+](=O)[O-])c(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000611616379 469293208 /nfs/dbraw/zinc/29/32/08/469293208.db2.gz JKAGUVUXSVHHJB-AWEZNQCLSA-N 2 2 333.436 2.187 10 5 EEBELP CNc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017508 218186161 /nfs/dbraw/zinc/18/61/61/218186161.db2.gz LTAWJAXSCXVOGL-INIZCTEOSA-N 2 2 348.447 2.181 10 5 EEBELP CNc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017508 218186163 /nfs/dbraw/zinc/18/61/63/218186163.db2.gz LTAWJAXSCXVOGL-INIZCTEOSA-N 2 2 348.447 2.181 10 5 EEBELP Cc1cc(N2CC[NH2+]C[C@@](C)(F)C2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000420269260 274708920 /nfs/dbraw/zinc/70/89/20/274708920.db2.gz SYRITRDEWIZTKM-QGZVFWFLSA-N 2 2 345.378 2.498 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402439 467395821 /nfs/dbraw/zinc/39/58/21/467395821.db2.gz QHXVBBXRFNDSGR-YOEHRIQHSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420402439 467395827 /nfs/dbraw/zinc/39/58/27/467395827.db2.gz QHXVBBXRFNDSGR-YOEHRIQHSA-N 2 2 346.431 2.306 10 5 EEBELP COc1ccc(OCC[N@@H+]2CC3CCC2(C[NH3+])CC3)c([N+](=O)[O-])c1 ZINC000566480304 319293603 /nfs/dbraw/zinc/29/36/03/319293603.db2.gz MXQUIQZPPRCQJS-UHFFFAOYSA-N 2 2 335.404 2.186 10 5 EEBELP COc1ccc(OCC[N@H+]2CC3CCC2(C[NH3+])CC3)c([N+](=O)[O-])c1 ZINC000566480304 319293606 /nfs/dbraw/zinc/29/36/06/319293606.db2.gz MXQUIQZPPRCQJS-UHFFFAOYSA-N 2 2 335.404 2.186 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413104 467400126 /nfs/dbraw/zinc/40/01/26/467400126.db2.gz ZRDMDWWKIMHMDK-LSDHHAIUSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420413104 467400130 /nfs/dbraw/zinc/40/01/30/467400130.db2.gz ZRDMDWWKIMHMDK-LSDHHAIUSA-N 2 2 346.431 2.306 10 5 EEBELP C[NH+]1CCC2(CC1)CN(c1[nH+]ccc3ccc([N+](=O)[O-])cc31)CCO2 ZINC000591992104 468592270 /nfs/dbraw/zinc/59/22/70/468592270.db2.gz OBVGLZSVMKMKAP-UHFFFAOYSA-N 2 2 342.399 2.444 10 5 EEBELP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCOCC1 ZINC000600677835 468618584 /nfs/dbraw/zinc/61/85/84/468618584.db2.gz JCSCBEHDPFQHBS-UHFFFAOYSA-N 2 2 331.372 2.452 10 5 EEBELP Cn1c[nH+]c(CC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC000459656001 245200304 /nfs/dbraw/zinc/20/03/04/245200304.db2.gz GYARHTPZYSZJBA-UHFFFAOYSA-N 2 2 340.387 2.061 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000124866760 463473945 /nfs/dbraw/zinc/47/39/45/463473945.db2.gz LQFNLAPJJKRPCD-UHFFFAOYSA-N 2 2 348.447 2.001 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124866760 463473946 /nfs/dbraw/zinc/47/39/46/463473946.db2.gz LQFNLAPJJKRPCD-UHFFFAOYSA-N 2 2 348.447 2.001 10 5 EEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363419519 466392713 /nfs/dbraw/zinc/39/27/13/466392713.db2.gz VXNHTYDRCAJZQB-QAPCUYQASA-N 2 2 332.448 2.368 10 5 EEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363419519 466392723 /nfs/dbraw/zinc/39/27/23/466392723.db2.gz VXNHTYDRCAJZQB-QAPCUYQASA-N 2 2 332.448 2.368 10 5 EEBELP C[C@@H]1C[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000611273933 469217254 /nfs/dbraw/zinc/21/72/54/469217254.db2.gz DRFWGHVRNJKCFE-TZMCWYRMSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@@H]1C[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000611273933 469217258 /nfs/dbraw/zinc/21/72/58/469217258.db2.gz DRFWGHVRNJKCFE-TZMCWYRMSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+]1C ZINC000611273933 469217264 /nfs/dbraw/zinc/21/72/64/469217264.db2.gz DRFWGHVRNJKCFE-TZMCWYRMSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+]1C ZINC000611273933 469217270 /nfs/dbraw/zinc/21/72/70/469217270.db2.gz DRFWGHVRNJKCFE-TZMCWYRMSA-N 2 2 335.404 2.281 10 5 EEBELP [NH3+]CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000842472008 1315711713 /nfs/dbraw/zinc/71/17/13/1315711713.db2.gz LTPUOEKQGPGIIH-UHFFFAOYSA-N 2 2 332.326 2.084 10 5 EEBELP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282241155 464748736 /nfs/dbraw/zinc/74/87/36/464748736.db2.gz ZZUYMSKHTSPYOB-AWEZNQCLSA-N 2 2 344.419 2.204 10 5 EEBELP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282241155 464748743 /nfs/dbraw/zinc/74/87/43/464748743.db2.gz ZZUYMSKHTSPYOB-AWEZNQCLSA-N 2 2 344.419 2.204 10 5 EEBELP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2ccccc2)c1 ZINC000423561994 466773795 /nfs/dbraw/zinc/77/37/95/466773795.db2.gz KFKDQNYIRRFTPY-MSOLQXFVSA-N 2 2 327.384 2.262 10 5 EEBELP Cn1cc[nH+]c1[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709681 468628180 /nfs/dbraw/zinc/62/81/80/468628180.db2.gz PNKCMMGTRDSVOV-CVEARBPZSA-N 2 2 341.415 2.292 10 5 EEBELP C[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600777439 468655116 /nfs/dbraw/zinc/65/51/16/468655116.db2.gz UEUWOVSOMIQUAX-DOMZBBRYSA-N 2 2 329.404 2.225 10 5 EEBELP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000601334952 468830622 /nfs/dbraw/zinc/83/06/22/468830622.db2.gz OZALQWJWKTVKMI-UKRRQHHQSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000601334952 468830624 /nfs/dbraw/zinc/83/06/24/468830624.db2.gz OZALQWJWKTVKMI-UKRRQHHQSA-N 2 2 343.387 2.219 10 5 EEBELP COc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000595906563 469074916 /nfs/dbraw/zinc/07/49/16/469074916.db2.gz LAMGVWPZYFTPLR-OAHLLOKOSA-N 2 2 337.420 2.146 10 5 EEBELP COc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000595906563 469074922 /nfs/dbraw/zinc/07/49/22/469074922.db2.gz LAMGVWPZYFTPLR-OAHLLOKOSA-N 2 2 337.420 2.146 10 5 EEBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393243 467636896 /nfs/dbraw/zinc/63/68/96/467636896.db2.gz LUQBZDYJLMVLAH-RDJZCZTQSA-N 2 2 335.448 2.352 10 5 EEBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393243 467636897 /nfs/dbraw/zinc/63/68/97/467636897.db2.gz LUQBZDYJLMVLAH-RDJZCZTQSA-N 2 2 335.448 2.352 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000601335873 468830487 /nfs/dbraw/zinc/83/04/87/468830487.db2.gz ZDQDRNNXPZPDGM-UKRRQHHQSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)n2)cc1 ZINC000601335873 468830491 /nfs/dbraw/zinc/83/04/91/468830491.db2.gz ZDQDRNNXPZPDGM-UKRRQHHQSA-N 2 2 343.387 2.219 10 5 EEBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779362 527753720 /nfs/dbraw/zinc/75/37/20/527753720.db2.gz QVSJBEFJNWYLJN-UKRRQHHQSA-N 2 2 334.420 2.195 10 5 EEBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779362 527753722 /nfs/dbraw/zinc/75/37/22/527753722.db2.gz QVSJBEFJNWYLJN-UKRRQHHQSA-N 2 2 334.420 2.195 10 5 EEBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779362 527753726 /nfs/dbraw/zinc/75/37/26/527753726.db2.gz QVSJBEFJNWYLJN-UKRRQHHQSA-N 2 2 334.420 2.195 10 5 EEBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000174779362 527753729 /nfs/dbraw/zinc/75/37/29/527753729.db2.gz QVSJBEFJNWYLJN-UKRRQHHQSA-N 2 2 334.420 2.195 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000289890130 275158838 /nfs/dbraw/zinc/15/88/38/275158838.db2.gz SSWPNANBGBWXGB-UHFFFAOYSA-N 2 2 334.464 2.361 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000289890130 275158839 /nfs/dbraw/zinc/15/88/39/275158839.db2.gz SSWPNANBGBWXGB-UHFFFAOYSA-N 2 2 334.464 2.361 10 5 EEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000567506667 319386246 /nfs/dbraw/zinc/38/62/46/319386246.db2.gz YOKXYVHBXZEZSP-CQSZACIVSA-N 2 2 333.432 2.482 10 5 EEBELP CN(C)c1[nH+]cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)n1C ZINC000569216136 468456720 /nfs/dbraw/zinc/45/67/20/468456720.db2.gz SMIGIFZBMKRCAF-UHFFFAOYSA-N 2 2 342.403 2.208 10 5 EEBELP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503266 468158217 /nfs/dbraw/zinc/15/82/17/468158217.db2.gz NDWPCXYNTMUPDQ-ZDUSSCGKSA-N 2 2 335.404 2.155 10 5 EEBELP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503266 468158220 /nfs/dbraw/zinc/15/82/20/468158220.db2.gz NDWPCXYNTMUPDQ-ZDUSSCGKSA-N 2 2 335.404 2.155 10 5 EEBELP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503266 468158222 /nfs/dbraw/zinc/15/82/22/468158222.db2.gz NDWPCXYNTMUPDQ-ZDUSSCGKSA-N 2 2 335.404 2.155 10 5 EEBELP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503266 468158225 /nfs/dbraw/zinc/15/82/25/468158225.db2.gz NDWPCXYNTMUPDQ-ZDUSSCGKSA-N 2 2 335.404 2.155 10 5 EEBELP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000592427080 468695985 /nfs/dbraw/zinc/69/59/85/468695985.db2.gz ZDVWYBCRIDUBHK-PBWFPOADSA-N 2 2 333.388 2.081 10 5 EEBELP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000592427080 468695988 /nfs/dbraw/zinc/69/59/88/468695988.db2.gz ZDVWYBCRIDUBHK-PBWFPOADSA-N 2 2 333.388 2.081 10 5 EEBELP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906731 469074764 /nfs/dbraw/zinc/07/47/64/469074764.db2.gz MKJXUIGURUVING-QGZVFWFLSA-N 2 2 337.420 2.016 10 5 EEBELP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906731 469074771 /nfs/dbraw/zinc/07/47/71/469074771.db2.gz MKJXUIGURUVING-QGZVFWFLSA-N 2 2 337.420 2.016 10 5 EEBELP COc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)c([N+](=O)[O-])cc1O ZINC000593645251 469077654 /nfs/dbraw/zinc/07/76/54/469077654.db2.gz HESKEKQOPQEPCK-UHFFFAOYSA-N 2 2 325.409 2.377 10 5 EEBELP COc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)c([N+](=O)[O-])cc1O ZINC000593645251 469077660 /nfs/dbraw/zinc/07/76/60/469077660.db2.gz HESKEKQOPQEPCK-UHFFFAOYSA-N 2 2 325.409 2.377 10 5 EEBELP C[N@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001192928252 1282251292 /nfs/dbraw/zinc/25/12/92/1282251292.db2.gz IBPIPGCVHOMLHP-UHFFFAOYSA-N 2 2 342.359 2.363 10 5 EEBELP C[N@@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccccc2[N+](=O)[O-])o1 ZINC001192928252 1282251304 /nfs/dbraw/zinc/25/13/04/1282251304.db2.gz IBPIPGCVHOMLHP-UHFFFAOYSA-N 2 2 342.359 2.363 10 5 EEBELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751296 463648116 /nfs/dbraw/zinc/64/81/16/463648116.db2.gz JQSGGBWJYHVLBE-GOSISDBHSA-N 2 2 332.448 2.197 10 5 EEBELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751296 463648119 /nfs/dbraw/zinc/64/81/19/463648119.db2.gz JQSGGBWJYHVLBE-GOSISDBHSA-N 2 2 332.448 2.197 10 5 EEBELP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600710253 468628749 /nfs/dbraw/zinc/62/87/49/468628749.db2.gz MVYGKVLBHWQDEX-XHSDSOJGSA-N 2 2 329.404 2.148 10 5 EEBELP C[NH+](C)C[C@@]1(O)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000601189793 468775840 /nfs/dbraw/zinc/77/58/40/468775840.db2.gz VPBKAZSVLFYPSN-KRWDZBQOSA-N 2 2 330.388 2.036 10 5 EEBELP Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000611616529 469293388 /nfs/dbraw/zinc/29/33/88/469293388.db2.gz WGHFMADCBUFYLM-MRXNPFEDSA-N 2 2 347.463 2.211 10 5 EEBELP Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000611616529 469293393 /nfs/dbraw/zinc/29/33/93/469293393.db2.gz WGHFMADCBUFYLM-MRXNPFEDSA-N 2 2 347.463 2.211 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402141 239805860 /nfs/dbraw/zinc/80/58/60/239805860.db2.gz QHXVBBXRFNDSGR-WMLDXEAASA-N 2 2 346.431 2.306 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420402141 239805862 /nfs/dbraw/zinc/80/58/62/239805862.db2.gz QHXVBBXRFNDSGR-WMLDXEAASA-N 2 2 346.431 2.306 10 5 EEBELP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282040782 464677938 /nfs/dbraw/zinc/67/79/38/464677938.db2.gz LMLFBKDAZLOJPJ-AWEZNQCLSA-N 2 2 344.419 2.204 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000589495922 468157335 /nfs/dbraw/zinc/15/73/35/468157335.db2.gz LQGJBMIJGYZGLQ-ZDUSSCGKSA-N 2 2 344.371 2.484 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000589495922 468157338 /nfs/dbraw/zinc/15/73/38/468157338.db2.gz LQGJBMIJGYZGLQ-ZDUSSCGKSA-N 2 2 344.371 2.484 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000582486350 468547959 /nfs/dbraw/zinc/54/79/59/468547959.db2.gz KCIKJYWAPPFREC-QGZVFWFLSA-N 2 2 343.387 2.220 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000582486350 468547963 /nfs/dbraw/zinc/54/79/63/468547963.db2.gz KCIKJYWAPPFREC-QGZVFWFLSA-N 2 2 343.387 2.220 10 5 EEBELP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753554 468750729 /nfs/dbraw/zinc/75/07/29/468750729.db2.gz RTFOEDUXKDWJOQ-KDOFPFPSSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753554 468750733 /nfs/dbraw/zinc/75/07/33/468750733.db2.gz RTFOEDUXKDWJOQ-KDOFPFPSSA-N 2 2 346.431 2.306 10 5 EEBELP CC(=O)c1c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882580823 1201902295 /nfs/dbraw/zinc/90/22/95/1201902295.db2.gz HPLZKZYDOCTMJR-ZDUSSCGKSA-N 2 2 336.436 2.481 10 5 EEBELP CC(=O)c1c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000882580823 1201902297 /nfs/dbraw/zinc/90/22/97/1201902297.db2.gz HPLZKZYDOCTMJR-ZDUSSCGKSA-N 2 2 336.436 2.481 10 5 EEBELP C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189901496 533406753 /nfs/dbraw/zinc/40/67/53/533406753.db2.gz UJMITLKOJRUMDM-CYBMUJFWSA-N 2 2 326.360 2.328 10 5 EEBELP CN(C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000266744822 464806429 /nfs/dbraw/zinc/80/64/29/464806429.db2.gz MRXWKQMIAUMURL-UHFFFAOYSA-N 2 2 343.387 2.160 10 5 EEBELP CN(C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478421 468706260 /nfs/dbraw/zinc/70/62/60/468706260.db2.gz BBSVTPQSSLIUBU-PBHICJAKSA-N 2 2 346.431 2.022 10 5 EEBELP CN(C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478421 468706262 /nfs/dbraw/zinc/70/62/62/468706262.db2.gz BBSVTPQSSLIUBU-PBHICJAKSA-N 2 2 346.431 2.022 10 5 EEBELP C[NH+](C)C[C@]1(O)CCCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000601188605 468776200 /nfs/dbraw/zinc/77/62/00/468776200.db2.gz KMZLCKAMJGFRPG-QGZVFWFLSA-N 2 2 330.388 2.036 10 5 EEBELP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728658 469111710 /nfs/dbraw/zinc/11/17/10/469111710.db2.gz BIIAQXCNUAOSIV-XOKHGSTOSA-N 2 2 335.404 2.161 10 5 EEBELP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728658 469111716 /nfs/dbraw/zinc/11/17/16/469111716.db2.gz BIIAQXCNUAOSIV-XOKHGSTOSA-N 2 2 335.404 2.161 10 5 EEBELP C[C@@H]1C[N@@H+](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066562258 215053873 /nfs/dbraw/zinc/05/38/73/215053873.db2.gz JOMXMGCIBHFIAL-OAHLLOKOSA-N 2 2 333.432 2.322 10 5 EEBELP C[C@@H]1C[N@H+](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066562258 215053877 /nfs/dbraw/zinc/05/38/77/215053877.db2.gz JOMXMGCIBHFIAL-OAHLLOKOSA-N 2 2 333.432 2.322 10 5 EEBELP CNc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017506 218186288 /nfs/dbraw/zinc/18/62/88/218186288.db2.gz LTAWJAXSCXVOGL-MRXNPFEDSA-N 2 2 348.447 2.181 10 5 EEBELP CNc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000093017506 218186291 /nfs/dbraw/zinc/18/62/91/218186291.db2.gz LTAWJAXSCXVOGL-MRXNPFEDSA-N 2 2 348.447 2.181 10 5 EEBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000353626490 285168201 /nfs/dbraw/zinc/16/82/01/285168201.db2.gz ILFVYZUKIPZEPI-CORIIIEPSA-N 2 2 330.392 2.145 10 5 EEBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000353626490 285168207 /nfs/dbraw/zinc/16/82/07/285168207.db2.gz ILFVYZUKIPZEPI-CORIIIEPSA-N 2 2 330.392 2.145 10 5 EEBELP C[C@@H]1CC[C@H](N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600711638 468628758 /nfs/dbraw/zinc/62/87/58/468628758.db2.gz TVEBFBROCOPEGM-INWMFGNUSA-N 2 2 329.404 2.148 10 5 EEBELP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C1 ZINC000593726626 469111465 /nfs/dbraw/zinc/11/14/65/469111465.db2.gz QLVNPISQURFHRC-PBHICJAKSA-N 2 2 335.404 2.019 10 5 EEBELP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000593739080 469117939 /nfs/dbraw/zinc/11/79/39/469117939.db2.gz VIMNNQQLCOXJBA-QEORTHHSSA-N 2 2 335.404 2.019 10 5 EEBELP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000593739080 469117942 /nfs/dbraw/zinc/11/79/42/469117942.db2.gz VIMNNQQLCOXJBA-QEORTHHSSA-N 2 2 335.404 2.019 10 5 EEBELP C[C@H]1C[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000611273930 469217929 /nfs/dbraw/zinc/21/79/29/469217929.db2.gz DRFWGHVRNJKCFE-GXTWGEPZSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@H]1C[C@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000611273930 469217931 /nfs/dbraw/zinc/21/79/31/469217931.db2.gz DRFWGHVRNJKCFE-GXTWGEPZSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@H]1C[C@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+]1C ZINC000611273930 469217935 /nfs/dbraw/zinc/21/79/35/469217935.db2.gz DRFWGHVRNJKCFE-GXTWGEPZSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+]1C ZINC000611273930 469217936 /nfs/dbraw/zinc/21/79/36/469217936.db2.gz DRFWGHVRNJKCFE-GXTWGEPZSA-N 2 2 335.404 2.281 10 5 EEBELP Cc1nc(N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC000183787950 235225886 /nfs/dbraw/zinc/22/58/86/235225886.db2.gz FNTQAVGOQYMOOZ-UHFFFAOYSA-N 2 2 327.388 2.058 10 5 EEBELP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423047681 304799449 /nfs/dbraw/zinc/79/94/49/304799449.db2.gz VIYJTMJTYDJURW-CVEARBPZSA-N 2 2 339.823 2.147 10 5 EEBELP CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478423 468706343 /nfs/dbraw/zinc/70/63/43/468706343.db2.gz BBSVTPQSSLIUBU-WMLDXEAASA-N 2 2 346.431 2.022 10 5 EEBELP CN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000592478423 468706349 /nfs/dbraw/zinc/70/63/49/468706349.db2.gz BBSVTPQSSLIUBU-WMLDXEAASA-N 2 2 346.431 2.022 10 5 EEBELP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1CCO ZINC000601175870 468771724 /nfs/dbraw/zinc/77/17/24/468771724.db2.gz RCBQNSPCFURTSG-OLZOCXBDSA-N 2 2 330.388 2.034 10 5 EEBELP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@H+]1CCO ZINC000601175870 468771727 /nfs/dbraw/zinc/77/17/27/468771727.db2.gz RCBQNSPCFURTSG-OLZOCXBDSA-N 2 2 330.388 2.034 10 5 EEBELP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000601334953 468830633 /nfs/dbraw/zinc/83/06/33/468830633.db2.gz OZALQWJWKTVKMI-ZFWWWQNUSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000601334953 468830637 /nfs/dbraw/zinc/83/06/37/468830637.db2.gz OZALQWJWKTVKMI-ZFWWWQNUSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000765850691 577508237 /nfs/dbraw/zinc/50/82/37/577508237.db2.gz ZSSFKQOJOBGPKV-KRWDZBQOSA-N 2 2 342.399 2.282 10 5 EEBELP CN(C(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000374211283 154005042 /nfs/dbraw/zinc/00/50/42/154005042.db2.gz ZFKSJQVXBXPQDB-UHFFFAOYSA-N 2 2 343.387 2.160 10 5 EEBELP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000567871610 468228785 /nfs/dbraw/zinc/22/87/85/468228785.db2.gz XKVKGEBNLULISK-QGZVFWFLSA-N 2 2 335.404 2.188 10 5 EEBELP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000567871610 468228788 /nfs/dbraw/zinc/22/87/88/468228788.db2.gz XKVKGEBNLULISK-QGZVFWFLSA-N 2 2 335.404 2.188 10 5 EEBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476521 468706411 /nfs/dbraw/zinc/70/64/11/468706411.db2.gz XKYLTWSXTSVNLO-CKEIUWERSA-N 2 2 346.431 2.386 10 5 EEBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476521 468706418 /nfs/dbraw/zinc/70/64/18/468706418.db2.gz XKYLTWSXTSVNLO-CKEIUWERSA-N 2 2 346.431 2.386 10 5 EEBELP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175869 468771388 /nfs/dbraw/zinc/77/13/88/468771388.db2.gz RCBQNSPCFURTSG-CHWSQXEVSA-N 2 2 330.388 2.034 10 5 EEBELP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175869 468771391 /nfs/dbraw/zinc/77/13/91/468771391.db2.gz RCBQNSPCFURTSG-CHWSQXEVSA-N 2 2 330.388 2.034 10 5 EEBELP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023592 1198028943 /nfs/dbraw/zinc/02/89/43/1198028943.db2.gz SVVSFYXEBDJZEF-AWEZNQCLSA-N 2 2 338.427 2.412 10 5 EEBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001621533041 1352369343 /nfs/dbraw/zinc/36/93/43/1352369343.db2.gz XNJWFURVGFZVPL-DJDSVLOFSA-N 2 2 332.448 2.222 10 5 EEBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001621533041 1352369347 /nfs/dbraw/zinc/36/93/47/1352369347.db2.gz XNJWFURVGFZVPL-DJDSVLOFSA-N 2 2 332.448 2.222 10 5 EEBELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595467670 468865403 /nfs/dbraw/zinc/86/54/03/468865403.db2.gz STLATZUNAOEBDG-UHFFFAOYSA-N 2 2 346.362 2.460 10 5 EEBELP [NH3+]CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000420319313 283432027 /nfs/dbraw/zinc/43/20/27/283432027.db2.gz PELXMKXEULEKMB-UHFFFAOYSA-N 2 2 332.326 2.084 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721836 464983789 /nfs/dbraw/zinc/98/37/89/464983789.db2.gz MYUPTMFFZGEHMB-AEFFLSMTSA-N 2 2 333.432 2.409 10 5 EEBELP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1[N+](=O)[O-] ZINC000301810939 466036902 /nfs/dbraw/zinc/03/69/02/466036902.db2.gz BNSRLWPEYIDUKT-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1[N+](=O)[O-] ZINC000301810939 466036912 /nfs/dbraw/zinc/03/69/12/466036912.db2.gz BNSRLWPEYIDUKT-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP C[N@H+](CCCO)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599045192 469098488 /nfs/dbraw/zinc/09/84/88/469098488.db2.gz GESRQMKILMNLQW-UHFFFAOYSA-N 2 2 344.415 2.426 10 5 EEBELP C[N@@H+](CCCO)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599045192 469098490 /nfs/dbraw/zinc/09/84/90/469098490.db2.gz GESRQMKILMNLQW-UHFFFAOYSA-N 2 2 344.415 2.426 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000368326420 166088616 /nfs/dbraw/zinc/08/86/16/166088616.db2.gz GEQIZPKDILSDIF-SFHVURJKSA-N 2 2 332.448 2.115 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000368326420 166088617 /nfs/dbraw/zinc/08/86/17/166088617.db2.gz GEQIZPKDILSDIF-SFHVURJKSA-N 2 2 332.448 2.115 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402140 467395996 /nfs/dbraw/zinc/39/59/96/467395996.db2.gz QHXVBBXRFNDSGR-RHSMWYFYSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420402140 467395998 /nfs/dbraw/zinc/39/59/98/467395998.db2.gz QHXVBBXRFNDSGR-RHSMWYFYSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753555 468751254 /nfs/dbraw/zinc/75/12/54/468751254.db2.gz RTFOEDUXKDWJOQ-KSSFIOAISA-N 2 2 346.431 2.306 10 5 EEBELP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000583753555 468751261 /nfs/dbraw/zinc/75/12/61/468751261.db2.gz RTFOEDUXKDWJOQ-KSSFIOAISA-N 2 2 346.431 2.306 10 5 EEBELP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000595905881 469075285 /nfs/dbraw/zinc/07/52/85/469075285.db2.gz IDRAKHHVYBREGG-HNNXBMFYSA-N 2 2 337.420 2.016 10 5 EEBELP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000595905881 469075290 /nfs/dbraw/zinc/07/52/90/469075290.db2.gz IDRAKHHVYBREGG-HNNXBMFYSA-N 2 2 337.420 2.016 10 5 EEBELP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193643834 160184416 /nfs/dbraw/zinc/18/44/16/160184416.db2.gz JAIUPZPBHHBKHQ-FPMFFAJLSA-N 2 2 343.387 2.199 10 5 EEBELP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193643834 160184417 /nfs/dbraw/zinc/18/44/17/160184417.db2.gz JAIUPZPBHHBKHQ-FPMFFAJLSA-N 2 2 343.387 2.199 10 5 EEBELP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193643834 160184419 /nfs/dbraw/zinc/18/44/19/160184419.db2.gz JAIUPZPBHHBKHQ-FPMFFAJLSA-N 2 2 343.387 2.199 10 5 EEBELP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193643834 160184421 /nfs/dbraw/zinc/18/44/21/160184421.db2.gz JAIUPZPBHHBKHQ-FPMFFAJLSA-N 2 2 343.387 2.199 10 5 EEBELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174901110 464466100 /nfs/dbraw/zinc/46/61/00/464466100.db2.gz FTNMRQGPOPAGKA-KRWDZBQOSA-N 2 2 332.448 2.197 10 5 EEBELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000174901110 464466105 /nfs/dbraw/zinc/46/61/05/464466105.db2.gz FTNMRQGPOPAGKA-KRWDZBQOSA-N 2 2 332.448 2.197 10 5 EEBELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423389294 466735476 /nfs/dbraw/zinc/73/54/76/466735476.db2.gz JGULGASNCZSFTD-KCXAZCMYSA-N 2 2 329.404 2.005 10 5 EEBELP C[C@@H]1C[NH2+]CC[C@H]1N[C@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423389296 466735774 /nfs/dbraw/zinc/73/57/74/466735774.db2.gz JGULGASNCZSFTD-WQVCFCJDSA-N 2 2 329.404 2.005 10 5 EEBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476447 468706431 /nfs/dbraw/zinc/70/64/31/468706431.db2.gz SUBJIOICCKKUDE-CPUCHLNUSA-N 2 2 346.431 2.386 10 5 EEBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476447 468706435 /nfs/dbraw/zinc/70/64/35/468706435.db2.gz SUBJIOICCKKUDE-CPUCHLNUSA-N 2 2 346.431 2.386 10 5 EEBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476450 468706593 /nfs/dbraw/zinc/70/65/93/468706593.db2.gz SUBJIOICCKKUDE-KEYYUXOJSA-N 2 2 346.431 2.386 10 5 EEBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476450 468706599 /nfs/dbraw/zinc/70/65/99/468706599.db2.gz SUBJIOICCKKUDE-KEYYUXOJSA-N 2 2 346.431 2.386 10 5 EEBELP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000749673388 577979698 /nfs/dbraw/zinc/97/96/98/577979698.db2.gz FHDNHBSNTCWZGX-KRWDZBQOSA-N 2 2 342.399 2.282 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335433 468830733 /nfs/dbraw/zinc/83/07/33/468830733.db2.gz UIKGCZKRSKOWBM-YOEHRIQHSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335433 468830737 /nfs/dbraw/zinc/83/07/37/468830737.db2.gz UIKGCZKRSKOWBM-YOEHRIQHSA-N 2 2 346.431 2.306 10 5 EEBELP CC[C@H]([NH2+][C@@H](C)C(=O)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537121 529648925 /nfs/dbraw/zinc/64/89/25/529648925.db2.gz HPADXRZUOHXETO-YOEHRIQHSA-N 2 2 348.447 2.188 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123808758 222334153 /nfs/dbraw/zinc/33/41/53/222334153.db2.gz SJPCSEIDKUVXKD-KGLIPLIRSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123808758 222334157 /nfs/dbraw/zinc/33/41/57/222334157.db2.gz SJPCSEIDKUVXKD-KGLIPLIRSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123808758 222334159 /nfs/dbraw/zinc/33/41/59/222334159.db2.gz SJPCSEIDKUVXKD-KGLIPLIRSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123808758 222334162 /nfs/dbraw/zinc/33/41/62/222334162.db2.gz SJPCSEIDKUVXKD-KGLIPLIRSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000183238383 464829990 /nfs/dbraw/zinc/82/99/90/464829990.db2.gz NSENIJNIQNZDHG-UHFFFAOYSA-N 2 2 332.448 2.117 10 5 EEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363419517 466392796 /nfs/dbraw/zinc/39/27/96/466392796.db2.gz VXNHTYDRCAJZQB-CRAIPNDOSA-N 2 2 332.448 2.368 10 5 EEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363419517 466392804 /nfs/dbraw/zinc/39/28/04/466392804.db2.gz VXNHTYDRCAJZQB-CRAIPNDOSA-N 2 2 332.448 2.368 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000589502285 468158578 /nfs/dbraw/zinc/15/85/78/468158578.db2.gz SUCDMVACWKSWKV-AWEZNQCLSA-N 2 2 347.415 2.299 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000589502285 468158582 /nfs/dbraw/zinc/15/85/82/468158582.db2.gz SUCDMVACWKSWKV-AWEZNQCLSA-N 2 2 347.415 2.299 10 5 EEBELP C[NH2+]CCOCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000923403466 789504631 /nfs/dbraw/zinc/50/46/31/789504631.db2.gz QHSSGENHNOJSTR-UHFFFAOYSA-N 2 2 346.225 2.025 10 5 EEBELP C[NH2+]CCOCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Br ZINC000923403466 789504636 /nfs/dbraw/zinc/50/46/36/789504636.db2.gz QHSSGENHNOJSTR-UHFFFAOYSA-N 2 2 346.225 2.025 10 5 EEBELP Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923539002 789742488 /nfs/dbraw/zinc/74/24/88/789742488.db2.gz MGIISBUMWNNVQY-GOSISDBHSA-N 2 2 346.431 2.450 10 5 EEBELP Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cccc1[N+](=O)[O-] ZINC000923539002 789742495 /nfs/dbraw/zinc/74/24/95/789742495.db2.gz MGIISBUMWNNVQY-GOSISDBHSA-N 2 2 346.431 2.450 10 5 EEBELP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352781112 162283681 /nfs/dbraw/zinc/28/36/81/162283681.db2.gz XJOCOGNJTNEVGX-RLFYNMQTSA-N 2 2 349.431 2.287 10 5 EEBELP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352781112 162283682 /nfs/dbraw/zinc/28/36/82/162283682.db2.gz XJOCOGNJTNEVGX-RLFYNMQTSA-N 2 2 349.431 2.287 10 5 EEBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445621 464482160 /nfs/dbraw/zinc/48/21/60/464482160.db2.gz ZBBOOGRVMUBALU-YOEHRIQHSA-N 2 2 348.447 2.220 10 5 EEBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445621 464482167 /nfs/dbraw/zinc/48/21/67/464482167.db2.gz ZBBOOGRVMUBALU-YOEHRIQHSA-N 2 2 348.447 2.220 10 5 EEBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445621 464482173 /nfs/dbraw/zinc/48/21/73/464482173.db2.gz ZBBOOGRVMUBALU-YOEHRIQHSA-N 2 2 348.447 2.220 10 5 EEBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445621 464482178 /nfs/dbraw/zinc/48/21/78/464482178.db2.gz ZBBOOGRVMUBALU-YOEHRIQHSA-N 2 2 348.447 2.220 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000589505120 468158547 /nfs/dbraw/zinc/15/85/47/468158547.db2.gz BOBHNXZNZHYVIX-GDBMZVCRSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000589505120 468158554 /nfs/dbraw/zinc/15/85/54/468158554.db2.gz BOBHNXZNZHYVIX-GDBMZVCRSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000589505120 468158556 /nfs/dbraw/zinc/15/85/56/468158556.db2.gz BOBHNXZNZHYVIX-GDBMZVCRSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000589505120 468158563 /nfs/dbraw/zinc/15/85/63/468158563.db2.gz BOBHNXZNZHYVIX-GDBMZVCRSA-N 2 2 347.415 2.298 10 5 EEBELP Cn1cc[nH+]c1[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600712389 468629072 /nfs/dbraw/zinc/62/90/72/468629072.db2.gz XKRYLCQLFMRPLV-JKSUJKDBSA-N 2 2 341.415 2.292 10 5 EEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131414498 462808998 /nfs/dbraw/zinc/80/89/98/462808998.db2.gz AXIGEHUKZAZTMD-CXAGYDPISA-N 2 2 346.431 2.070 10 5 EEBELP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131414498 462809001 /nfs/dbraw/zinc/80/90/01/462809001.db2.gz AXIGEHUKZAZTMD-CXAGYDPISA-N 2 2 346.431 2.070 10 5 EEBELP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301852858 466046587 /nfs/dbraw/zinc/04/65/87/466046587.db2.gz QAHINTWSGDJKES-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP Cc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1[N+](=O)[O-] ZINC000301852858 466046590 /nfs/dbraw/zinc/04/65/90/466046590.db2.gz QAHINTWSGDJKES-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601120755 468749586 /nfs/dbraw/zinc/74/95/86/468749586.db2.gz NFTXIQVAWCUSJB-ZDUSSCGKSA-N 2 2 330.388 2.036 10 5 EEBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363419523 466392923 /nfs/dbraw/zinc/39/29/23/466392923.db2.gz VXNHTYDRCAJZQB-YJBOKZPZSA-N 2 2 332.448 2.368 10 5 EEBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363419523 466392930 /nfs/dbraw/zinc/39/29/30/466392930.db2.gz VXNHTYDRCAJZQB-YJBOKZPZSA-N 2 2 332.448 2.368 10 5 EEBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255946 1201476832 /nfs/dbraw/zinc/47/68/32/1201476832.db2.gz HFLMQOPKUFUZBE-BBRMVZONSA-N 2 2 339.411 2.365 10 5 EEBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255946 1201476833 /nfs/dbraw/zinc/47/68/33/1201476833.db2.gz HFLMQOPKUFUZBE-BBRMVZONSA-N 2 2 339.411 2.365 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903468466 1240564478 /nfs/dbraw/zinc/56/44/78/1240564478.db2.gz LMRPREMVDBBKOM-HNNXBMFYSA-N 2 2 332.404 2.106 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335431 468830904 /nfs/dbraw/zinc/83/09/04/468830904.db2.gz UIKGCZKRSKOWBM-WMLDXEAASA-N 2 2 346.431 2.306 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335431 468830908 /nfs/dbraw/zinc/83/09/08/468830908.db2.gz UIKGCZKRSKOWBM-WMLDXEAASA-N 2 2 346.431 2.306 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974122 1242813140 /nfs/dbraw/zinc/81/31/40/1242813140.db2.gz MKWGZUHXESMLOW-OICCZTGUSA-N 2 2 331.416 2.356 10 5 EEBELP Cn1c[nH+]c(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000459662816 245201841 /nfs/dbraw/zinc/20/18/41/245201841.db2.gz OGLOARLKYWPYTK-UHFFFAOYSA-N 2 2 326.303 2.262 10 5 EEBELP Cn1cc[nH+]c1[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709684 468627802 /nfs/dbraw/zinc/62/78/02/468627802.db2.gz PNKCMMGTRDSVOV-HZPDHXFCSA-N 2 2 341.415 2.292 10 5 EEBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000866413055 1201511242 /nfs/dbraw/zinc/51/12/42/1201511242.db2.gz FLWJHTQPOIBRMD-ZBFHGGJFSA-N 2 2 335.448 2.351 10 5 EEBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000866413055 1201511246 /nfs/dbraw/zinc/51/12/46/1201511246.db2.gz FLWJHTQPOIBRMD-ZBFHGGJFSA-N 2 2 335.448 2.351 10 5 EEBELP C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322399 154050205 /nfs/dbraw/zinc/05/02/05/154050205.db2.gz CPXWCJAMNNMYGE-UKRRQHHQSA-N 2 2 338.477 2.114 10 5 EEBELP C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322399 154050207 /nfs/dbraw/zinc/05/02/07/154050207.db2.gz CPXWCJAMNNMYGE-UKRRQHHQSA-N 2 2 338.477 2.114 10 5 EEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246332497 160274226 /nfs/dbraw/zinc/27/42/26/160274226.db2.gz SWKRWXFGQZKWMC-DLBZAZTESA-N 2 2 330.388 2.298 10 5 EEBELP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423408759 466741947 /nfs/dbraw/zinc/74/19/47/466741947.db2.gz XXLNHONINMFHIE-DAXOMENPSA-N 2 2 329.404 2.005 10 5 EEBELP CC[NH+]1CCC([N@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589494093 468156695 /nfs/dbraw/zinc/15/66/95/468156695.db2.gz CBAOFTWFLSBQCV-UHFFFAOYSA-N 2 2 335.404 2.298 10 5 EEBELP CC[NH+]1CCC([N@@H+](C)Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000589494093 468156700 /nfs/dbraw/zinc/15/67/00/468156700.db2.gz CBAOFTWFLSBQCV-UHFFFAOYSA-N 2 2 335.404 2.298 10 5 EEBELP C[C@@H]1CC[C@H](N[C@@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600711640 468629320 /nfs/dbraw/zinc/62/93/20/468629320.db2.gz TVEBFBROCOPEGM-IVMMDQJWSA-N 2 2 329.404 2.148 10 5 EEBELP C[NH+]1CCC2(CC1)CN(c1ccc3c[nH+]ccc3c1[N+](=O)[O-])CCO2 ZINC000599093310 469117008 /nfs/dbraw/zinc/11/70/08/469117008.db2.gz ONESGIYOZKDPAY-UHFFFAOYSA-N 2 2 342.399 2.444 10 5 EEBELP CC(=O)c1ccc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596361291 469250468 /nfs/dbraw/zinc/25/04/68/469250468.db2.gz RLBCWOIEAQEGSQ-ZDUSSCGKSA-N 2 2 336.436 2.481 10 5 EEBELP CC(=O)c1ccc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596361291 469250469 /nfs/dbraw/zinc/25/04/69/469250469.db2.gz RLBCWOIEAQEGSQ-ZDUSSCGKSA-N 2 2 336.436 2.481 10 5 EEBELP C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322398 154049709 /nfs/dbraw/zinc/04/97/09/154049709.db2.gz CPXWCJAMNNMYGE-HIFRSBDPSA-N 2 2 338.477 2.114 10 5 EEBELP C[C@@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322398 154049713 /nfs/dbraw/zinc/04/97/13/154049713.db2.gz CPXWCJAMNNMYGE-HIFRSBDPSA-N 2 2 338.477 2.114 10 5 EEBELP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734905 463043684 /nfs/dbraw/zinc/04/36/84/463043684.db2.gz PIKKYRALOWIJFH-UHFFFAOYSA-N 2 2 349.431 2.377 10 5 EEBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449393244 467636683 /nfs/dbraw/zinc/63/66/83/467636683.db2.gz LUQBZDYJLMVLAH-WBVHZDCISA-N 2 2 335.448 2.352 10 5 EEBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449393244 467636685 /nfs/dbraw/zinc/63/66/85/467636685.db2.gz LUQBZDYJLMVLAH-WBVHZDCISA-N 2 2 335.448 2.352 10 5 EEBELP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175873 468771698 /nfs/dbraw/zinc/77/16/98/468771698.db2.gz RCBQNSPCFURTSG-STQMWFEESA-N 2 2 330.388 2.034 10 5 EEBELP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601175873 468771702 /nfs/dbraw/zinc/77/17/02/468771702.db2.gz RCBQNSPCFURTSG-STQMWFEESA-N 2 2 330.388 2.034 10 5 EEBELP O=[N+]([O-])c1c(NC[C@H](O)C[NH+]2CCCCC2)ccc2c[nH+]ccc21 ZINC000599019886 469091295 /nfs/dbraw/zinc/09/12/95/469091295.db2.gz NWOBEBBWRBTIRJ-AWEZNQCLSA-N 2 2 330.388 2.402 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923537862 789740891 /nfs/dbraw/zinc/74/08/91/789740891.db2.gz DZDBPRSMUCDUMJ-GOSISDBHSA-N 2 2 346.431 2.450 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923537862 789740898 /nfs/dbraw/zinc/74/08/98/789740898.db2.gz DZDBPRSMUCDUMJ-GOSISDBHSA-N 2 2 346.431 2.450 10 5 EEBELP [NH3+]C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCOCC1 ZINC000600677504 468618663 /nfs/dbraw/zinc/61/86/63/468618663.db2.gz FQCKCKSDISERDM-UHFFFAOYSA-N 2 2 331.372 2.452 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905587 469075544 /nfs/dbraw/zinc/07/55/44/469075544.db2.gz DTMVBHIVVFECHS-INIZCTEOSA-N 2 2 337.420 2.146 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595905587 469075547 /nfs/dbraw/zinc/07/55/47/469075547.db2.gz DTMVBHIVVFECHS-INIZCTEOSA-N 2 2 337.420 2.146 10 5 EEBELP C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322263 154050037 /nfs/dbraw/zinc/05/00/37/154050037.db2.gz CPXWCJAMNNMYGE-DZGCQCFKSA-N 2 2 338.477 2.114 10 5 EEBELP C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322263 154050042 /nfs/dbraw/zinc/05/00/42/154050042.db2.gz CPXWCJAMNNMYGE-DZGCQCFKSA-N 2 2 338.477 2.114 10 5 EEBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445619 464482867 /nfs/dbraw/zinc/48/28/67/464482867.db2.gz ZBBOOGRVMUBALU-WMLDXEAASA-N 2 2 348.447 2.220 10 5 EEBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445619 464482870 /nfs/dbraw/zinc/48/28/70/464482870.db2.gz ZBBOOGRVMUBALU-WMLDXEAASA-N 2 2 348.447 2.220 10 5 EEBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445619 464482876 /nfs/dbraw/zinc/48/28/76/464482876.db2.gz ZBBOOGRVMUBALU-WMLDXEAASA-N 2 2 348.447 2.220 10 5 EEBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245445619 464482880 /nfs/dbraw/zinc/48/28/80/464482880.db2.gz ZBBOOGRVMUBALU-WMLDXEAASA-N 2 2 348.447 2.220 10 5 EEBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033599 468746704 /nfs/dbraw/zinc/74/67/04/468746704.db2.gz GZRVPXGNAHHAIR-DZGCQCFKSA-N 2 2 337.420 2.365 10 5 EEBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033599 468746708 /nfs/dbraw/zinc/74/67/08/468746708.db2.gz GZRVPXGNAHHAIR-DZGCQCFKSA-N 2 2 337.420 2.365 10 5 EEBELP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872147462 1198055823 /nfs/dbraw/zinc/05/58/23/1198055823.db2.gz BGICDRHDXZJFNP-ZWNOBZJWSA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872147462 1198055828 /nfs/dbraw/zinc/05/58/28/1198055828.db2.gz BGICDRHDXZJFNP-ZWNOBZJWSA-N 2 2 333.310 2.043 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246982485 243347136 /nfs/dbraw/zinc/34/71/36/243347136.db2.gz SJPCSEIDKUVXKD-KBPBESRZSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246982485 243347138 /nfs/dbraw/zinc/34/71/38/243347138.db2.gz SJPCSEIDKUVXKD-KBPBESRZSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246982485 243347145 /nfs/dbraw/zinc/34/71/45/243347145.db2.gz SJPCSEIDKUVXKD-KBPBESRZSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246982485 243347150 /nfs/dbraw/zinc/34/71/50/243347150.db2.gz SJPCSEIDKUVXKD-KBPBESRZSA-N 2 2 334.420 2.256 10 5 EEBELP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000041913239 463519819 /nfs/dbraw/zinc/51/98/19/463519819.db2.gz LFSBLFOSEHQGQQ-CYBMUJFWSA-N 2 2 345.403 2.241 10 5 EEBELP Cc1cc[nH+]cc1N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000340598597 466199102 /nfs/dbraw/zinc/19/91/02/466199102.db2.gz MGGMNZFPEWIQEE-UHFFFAOYSA-N 2 2 342.399 2.499 10 5 EEBELP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000420372151 467382116 /nfs/dbraw/zinc/38/21/16/467382116.db2.gz LENVMNXQYBXKLK-HNNXBMFYSA-N 2 2 342.399 2.099 10 5 EEBELP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000420372151 467382120 /nfs/dbraw/zinc/38/21/20/467382120.db2.gz LENVMNXQYBXKLK-HNNXBMFYSA-N 2 2 342.399 2.099 10 5 EEBELP C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600777440 468655165 /nfs/dbraw/zinc/65/51/65/468655165.db2.gz UEUWOVSOMIQUAX-IUODEOHRSA-N 2 2 329.404 2.225 10 5 EEBELP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000749673389 577979684 /nfs/dbraw/zinc/97/96/84/577979684.db2.gz FHDNHBSNTCWZGX-QGZVFWFLSA-N 2 2 342.399 2.282 10 5 EEBELP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807192 282132922 /nfs/dbraw/zinc/13/29/22/282132922.db2.gz GRMRPQKKUXAFQC-QZTJIDSGSA-N 2 2 329.400 2.196 10 5 EEBELP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253535 466573456 /nfs/dbraw/zinc/57/34/56/466573456.db2.gz OBAHSKOWLGKFGA-OALUTQOASA-N 2 2 341.411 2.340 10 5 EEBELP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253535 466573460 /nfs/dbraw/zinc/57/34/60/466573460.db2.gz OBAHSKOWLGKFGA-OALUTQOASA-N 2 2 341.411 2.340 10 5 EEBELP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C1 ZINC000593726628 469110957 /nfs/dbraw/zinc/11/09/57/469110957.db2.gz QLVNPISQURFHRC-RHSMWYFYSA-N 2 2 335.404 2.019 10 5 EEBELP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000352781111 162283752 /nfs/dbraw/zinc/28/37/52/162283752.db2.gz XJOCOGNJTNEVGX-IIDMSEBBSA-N 2 2 349.431 2.287 10 5 EEBELP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000352781111 162283755 /nfs/dbraw/zinc/28/37/55/162283755.db2.gz XJOCOGNJTNEVGX-IIDMSEBBSA-N 2 2 349.431 2.287 10 5 EEBELP C[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600777441 468655250 /nfs/dbraw/zinc/65/52/50/468655250.db2.gz UEUWOVSOMIQUAX-SWLSCSKDSA-N 2 2 329.404 2.225 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000368326419 166088538 /nfs/dbraw/zinc/08/85/38/166088538.db2.gz GEQIZPKDILSDIF-GOSISDBHSA-N 2 2 332.448 2.115 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000368326419 166088540 /nfs/dbraw/zinc/08/85/40/166088540.db2.gz GEQIZPKDILSDIF-GOSISDBHSA-N 2 2 332.448 2.115 10 5 EEBELP Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000611616528 469293418 /nfs/dbraw/zinc/29/34/18/469293418.db2.gz WGHFMADCBUFYLM-INIZCTEOSA-N 2 2 347.463 2.211 10 5 EEBELP Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000611616528 469293424 /nfs/dbraw/zinc/29/34/24/469293424.db2.gz WGHFMADCBUFYLM-INIZCTEOSA-N 2 2 347.463 2.211 10 5 EEBELP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261886641 682017951 /nfs/dbraw/zinc/01/79/51/682017951.db2.gz FZLBFOJJTAEUAW-BMFZPTHFSA-N 2 2 339.823 2.495 10 5 EEBELP Cn1c[nH+]cc1C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001460962836 1110330218 /nfs/dbraw/zinc/33/02/18/1110330218.db2.gz IEPVNJMPIKHOJB-KRWDZBQOSA-N 2 2 330.388 2.241 10 5 EEBELP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503265 468157588 /nfs/dbraw/zinc/15/75/88/468157588.db2.gz NDWPCXYNTMUPDQ-CYBMUJFWSA-N 2 2 335.404 2.155 10 5 EEBELP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503265 468157593 /nfs/dbraw/zinc/15/75/93/468157593.db2.gz NDWPCXYNTMUPDQ-CYBMUJFWSA-N 2 2 335.404 2.155 10 5 EEBELP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503265 468157597 /nfs/dbraw/zinc/15/75/97/468157597.db2.gz NDWPCXYNTMUPDQ-CYBMUJFWSA-N 2 2 335.404 2.155 10 5 EEBELP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000589503265 468157601 /nfs/dbraw/zinc/15/76/01/468157601.db2.gz NDWPCXYNTMUPDQ-CYBMUJFWSA-N 2 2 335.404 2.155 10 5 EEBELP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601120754 468750017 /nfs/dbraw/zinc/75/00/17/468750017.db2.gz NFTXIQVAWCUSJB-CYBMUJFWSA-N 2 2 330.388 2.036 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864213 469052111 /nfs/dbraw/zinc/05/21/11/469052111.db2.gz RCHOESSWUJBTIG-YOEHRIQHSA-N 2 2 333.432 2.495 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595864213 469052117 /nfs/dbraw/zinc/05/21/17/469052117.db2.gz RCHOESSWUJBTIG-YOEHRIQHSA-N 2 2 333.432 2.495 10 5 EEBELP C[NH+]1CCC(CNc2cccnc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000610282716 470000161 /nfs/dbraw/zinc/00/01/61/470000161.db2.gz HVLURCZIQUHPBU-UHFFFAOYSA-N 2 2 333.436 2.352 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397070 239804247 /nfs/dbraw/zinc/80/42/47/239804247.db2.gz MFIRGDSGSRPALX-PBHICJAKSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397070 239804254 /nfs/dbraw/zinc/80/42/54/239804254.db2.gz MFIRGDSGSRPALX-PBHICJAKSA-N 2 2 346.431 2.306 10 5 EEBELP C[C@@H]1C[NH2+]CC[C@H]1N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423408762 297110236 /nfs/dbraw/zinc/11/02/36/297110236.db2.gz XXLNHONINMFHIE-WQVCFCJDSA-N 2 2 329.404 2.005 10 5 EEBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353625796 466021035 /nfs/dbraw/zinc/02/10/35/466021035.db2.gz GXHMDSBOMIHAIE-YPMHNXCESA-N 2 2 343.387 2.182 10 5 EEBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353625796 466021045 /nfs/dbraw/zinc/02/10/45/466021045.db2.gz GXHMDSBOMIHAIE-YPMHNXCESA-N 2 2 343.387 2.182 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397073 467393685 /nfs/dbraw/zinc/39/36/85/467393685.db2.gz MFIRGDSGSRPALX-YOEHRIQHSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397073 467393689 /nfs/dbraw/zinc/39/36/89/467393689.db2.gz MFIRGDSGSRPALX-YOEHRIQHSA-N 2 2 346.431 2.306 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000589497628 468156579 /nfs/dbraw/zinc/15/65/79/468156579.db2.gz XAUWZMXDKCLVAV-UHFFFAOYSA-N 2 2 344.371 2.415 10 5 EEBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436195 276394135 /nfs/dbraw/zinc/39/41/35/276394135.db2.gz QVSJBEFJNWYLJN-DZGCQCFKSA-N 2 2 334.420 2.195 10 5 EEBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436195 276394137 /nfs/dbraw/zinc/39/41/37/276394137.db2.gz QVSJBEFJNWYLJN-DZGCQCFKSA-N 2 2 334.420 2.195 10 5 EEBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436195 276394139 /nfs/dbraw/zinc/39/41/39/276394139.db2.gz QVSJBEFJNWYLJN-DZGCQCFKSA-N 2 2 334.420 2.195 10 5 EEBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436195 276394141 /nfs/dbraw/zinc/39/41/41/276394141.db2.gz QVSJBEFJNWYLJN-DZGCQCFKSA-N 2 2 334.420 2.195 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597236498 468490696 /nfs/dbraw/zinc/49/06/96/468490696.db2.gz RAGASHOHKUHQEK-NJELEJDNSA-N 2 2 331.416 2.139 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000597236498 468490700 /nfs/dbraw/zinc/49/07/00/468490700.db2.gz RAGASHOHKUHQEK-NJELEJDNSA-N 2 2 331.416 2.139 10 5 EEBELP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000420372152 467381882 /nfs/dbraw/zinc/38/18/82/467381882.db2.gz LENVMNXQYBXKLK-OAHLLOKOSA-N 2 2 342.399 2.099 10 5 EEBELP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000420372152 467381889 /nfs/dbraw/zinc/38/18/89/467381889.db2.gz LENVMNXQYBXKLK-OAHLLOKOSA-N 2 2 342.399 2.099 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425630 468695488 /nfs/dbraw/zinc/69/54/88/468695488.db2.gz LYJACJAHXDCPHJ-DZGCQCFKSA-N 2 2 347.415 2.330 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425630 468695495 /nfs/dbraw/zinc/69/54/95/468695495.db2.gz LYJACJAHXDCPHJ-DZGCQCFKSA-N 2 2 347.415 2.330 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425635 468695627 /nfs/dbraw/zinc/69/56/27/468695627.db2.gz LYJACJAHXDCPHJ-UKRRQHHQSA-N 2 2 347.415 2.330 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]3)C1)OCCO2 ZINC000592425635 468695629 /nfs/dbraw/zinc/69/56/29/468695629.db2.gz LYJACJAHXDCPHJ-UKRRQHHQSA-N 2 2 347.415 2.330 10 5 EEBELP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000601334950 468830377 /nfs/dbraw/zinc/83/03/77/468830377.db2.gz OZALQWJWKTVKMI-DZGCQCFKSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)n2)c1 ZINC000601334950 468830382 /nfs/dbraw/zinc/83/03/82/468830382.db2.gz OZALQWJWKTVKMI-DZGCQCFKSA-N 2 2 343.387 2.219 10 5 EEBELP [NH3+]C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872147458 1198055342 /nfs/dbraw/zinc/05/53/42/1198055342.db2.gz BGICDRHDXZJFNP-GXFFZTMASA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872147458 1198055351 /nfs/dbraw/zinc/05/53/51/1198055351.db2.gz BGICDRHDXZJFNP-GXFFZTMASA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872148502 1198056588 /nfs/dbraw/zinc/05/65/88/1198056588.db2.gz JMJQLOJSYDZKHH-QWRGUYRKSA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872148502 1198056593 /nfs/dbraw/zinc/05/65/93/1198056593.db2.gz JMJQLOJSYDZKHH-QWRGUYRKSA-N 2 2 333.310 2.043 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974120 1242809536 /nfs/dbraw/zinc/80/95/36/1242809536.db2.gz MKWGZUHXESMLOW-IMMZDGJCSA-N 2 2 331.416 2.356 10 5 EEBELP C[C@H]1C[N@@H+](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066562260 215053903 /nfs/dbraw/zinc/05/39/03/215053903.db2.gz JOMXMGCIBHFIAL-HNNXBMFYSA-N 2 2 333.432 2.322 10 5 EEBELP C[C@H]1C[N@H+](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)CCO1 ZINC000066562260 215053905 /nfs/dbraw/zinc/05/39/05/215053905.db2.gz JOMXMGCIBHFIAL-HNNXBMFYSA-N 2 2 333.432 2.322 10 5 EEBELP C[C@@H]1CC[C@@H](N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600712178 468629109 /nfs/dbraw/zinc/62/91/09/468629109.db2.gz XJHJYLKVFWPWRH-XNRPHZJLSA-N 2 2 329.404 2.148 10 5 EEBELP C[NH2+]C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000903529599 1240817995 /nfs/dbraw/zinc/81/79/95/1240817995.db2.gz MBSLAQXUGMPRNF-HNNXBMFYSA-N 2 2 334.420 2.306 10 5 EEBELP C[NH2+]C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000903529599 1240818000 /nfs/dbraw/zinc/81/80/00/1240818000.db2.gz MBSLAQXUGMPRNF-HNNXBMFYSA-N 2 2 334.420 2.306 10 5 EEBELP COC[C@](C)([NH3+])CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072284410 463496968 /nfs/dbraw/zinc/49/69/68/463496968.db2.gz ZYWJMGHRMSGDPF-MRXNPFEDSA-N 2 2 331.376 2.136 10 5 EEBELP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000174863967 464460204 /nfs/dbraw/zinc/46/02/04/464460204.db2.gz JPENFDGIYLDFJO-INIZCTEOSA-N 2 2 335.452 2.379 10 5 EEBELP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000174863967 464460206 /nfs/dbraw/zinc/46/02/06/464460206.db2.gz JPENFDGIYLDFJO-INIZCTEOSA-N 2 2 335.452 2.379 10 5 EEBELP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000338941368 466508424 /nfs/dbraw/zinc/50/84/24/466508424.db2.gz FXLWXRASGONMDT-UHFFFAOYSA-N 2 2 349.431 2.235 10 5 EEBELP C[C@@H]1CC[C@@H](N[C@H](c2[nH+]ccn2C)c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600711642 468628643 /nfs/dbraw/zinc/62/86/43/468628643.db2.gz TVEBFBROCOPEGM-XPKDYRNWSA-N 2 2 329.404 2.148 10 5 EEBELP Cc1c(NC(=O)CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cccc1[N+](=O)[O-] ZINC000903468261 1240563649 /nfs/dbraw/zinc/56/36/49/1240563649.db2.gz JGLOZGOQTPNTQE-OAHLLOKOSA-N 2 2 332.404 2.106 10 5 EEBELP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095490 217361728 /nfs/dbraw/zinc/36/17/28/217361728.db2.gz ZBBOOGRVMUBALU-RHSMWYFYSA-N 2 2 348.447 2.220 10 5 EEBELP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095490 217361731 /nfs/dbraw/zinc/36/17/31/217361731.db2.gz ZBBOOGRVMUBALU-RHSMWYFYSA-N 2 2 348.447 2.220 10 5 EEBELP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095490 217361734 /nfs/dbraw/zinc/36/17/34/217361734.db2.gz ZBBOOGRVMUBALU-RHSMWYFYSA-N 2 2 348.447 2.220 10 5 EEBELP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095490 217361738 /nfs/dbraw/zinc/36/17/38/217361738.db2.gz ZBBOOGRVMUBALU-RHSMWYFYSA-N 2 2 348.447 2.220 10 5 EEBELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000355657003 163261681 /nfs/dbraw/zinc/26/16/81/163261681.db2.gz NYYQJUWABXIXDZ-UHFFFAOYSA-N 2 2 346.362 2.460 10 5 EEBELP C[NH+](C)C1CC[NH+](CCNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000519537075 468169166 /nfs/dbraw/zinc/16/91/66/468169166.db2.gz GYCCQUWKZOHQJH-UHFFFAOYSA-N 2 2 347.463 2.307 10 5 EEBELP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000600710240 468629312 /nfs/dbraw/zinc/62/93/12/468629312.db2.gz MVYGKVLBHWQDEX-ARFHVFGLSA-N 2 2 329.404 2.148 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(c3c[nH+]c[nH]3)CC1)OCCO2 ZINC000611272000 469215859 /nfs/dbraw/zinc/21/58/59/469215859.db2.gz KFAUOIDLFWADSO-UHFFFAOYSA-N 2 2 344.371 2.469 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(c3c[nH]c[nH+]3)CC1)OCCO2 ZINC000611272000 469215864 /nfs/dbraw/zinc/21/58/64/469215864.db2.gz KFAUOIDLFWADSO-UHFFFAOYSA-N 2 2 344.371 2.469 10 5 EEBELP C[C@H]1C[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000611273931 469217900 /nfs/dbraw/zinc/21/79/00/469217900.db2.gz DRFWGHVRNJKCFE-JSGCOSHPSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@H]1C[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000611273931 469217902 /nfs/dbraw/zinc/21/79/02/469217902.db2.gz DRFWGHVRNJKCFE-JSGCOSHPSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+]1C ZINC000611273931 469217903 /nfs/dbraw/zinc/21/79/03/469217903.db2.gz DRFWGHVRNJKCFE-JSGCOSHPSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+]1C ZINC000611273931 469217905 /nfs/dbraw/zinc/21/79/05/469217905.db2.gz DRFWGHVRNJKCFE-JSGCOSHPSA-N 2 2 335.404 2.281 10 5 EEBELP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000872152132 1198058723 /nfs/dbraw/zinc/05/87/23/1198058723.db2.gz ZHXVAPJEPYEDRS-ZWNOBZJWSA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(F)(F)F ZINC000872152132 1198058735 /nfs/dbraw/zinc/05/87/35/1198058735.db2.gz ZHXVAPJEPYEDRS-ZWNOBZJWSA-N 2 2 333.310 2.043 10 5 EEBELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000109753725 159352000 /nfs/dbraw/zinc/35/20/00/159352000.db2.gz CHLOBDPJIYXTEB-SFHVURJKSA-N 2 2 332.448 2.197 10 5 EEBELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000109753725 159352003 /nfs/dbraw/zinc/35/20/03/159352003.db2.gz CHLOBDPJIYXTEB-SFHVURJKSA-N 2 2 332.448 2.197 10 5 EEBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000353626492 466022074 /nfs/dbraw/zinc/02/20/74/466022074.db2.gz ILFVYZUKIPZEPI-OSAQELSMSA-N 2 2 330.392 2.145 10 5 EEBELP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000353626492 466022080 /nfs/dbraw/zinc/02/20/80/466022080.db2.gz ILFVYZUKIPZEPI-OSAQELSMSA-N 2 2 330.392 2.145 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000595042563 468748434 /nfs/dbraw/zinc/74/84/34/468748434.db2.gz SVGYLBYOJYELGW-UKRRQHHQSA-N 2 2 337.420 2.101 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000595042563 468748436 /nfs/dbraw/zinc/74/84/36/468748436.db2.gz SVGYLBYOJYELGW-UKRRQHHQSA-N 2 2 337.420 2.101 10 5 EEBELP CC[NH+]1CCN(CCNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599019615 469089228 /nfs/dbraw/zinc/08/92/28/469089228.db2.gz HXGMUTOJPVKAOQ-UHFFFAOYSA-N 2 2 329.404 2.192 10 5 EEBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001621533042 1352369242 /nfs/dbraw/zinc/36/92/42/1352369242.db2.gz XNJWFURVGFZVPL-QAEGFZEYSA-N 2 2 332.448 2.222 10 5 EEBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001621533042 1352369245 /nfs/dbraw/zinc/36/92/45/1352369245.db2.gz XNJWFURVGFZVPL-QAEGFZEYSA-N 2 2 332.448 2.222 10 5 EEBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353625793 466020463 /nfs/dbraw/zinc/02/04/63/466020463.db2.gz GXHMDSBOMIHAIE-DGCLKSJQSA-N 2 2 343.387 2.182 10 5 EEBELP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353625793 466020471 /nfs/dbraw/zinc/02/04/71/466020471.db2.gz GXHMDSBOMIHAIE-DGCLKSJQSA-N 2 2 343.387 2.182 10 5 EEBELP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253534 466574198 /nfs/dbraw/zinc/57/41/98/466574198.db2.gz OBAHSKOWLGKFGA-MOPGFXCFSA-N 2 2 341.411 2.340 10 5 EEBELP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253534 466574201 /nfs/dbraw/zinc/57/42/01/466574201.db2.gz OBAHSKOWLGKFGA-MOPGFXCFSA-N 2 2 341.411 2.340 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000595042558 468747640 /nfs/dbraw/zinc/74/76/40/468747640.db2.gz SVGYLBYOJYELGW-HIFRSBDPSA-N 2 2 337.420 2.101 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000595042558 468747646 /nfs/dbraw/zinc/74/76/46/468747646.db2.gz SVGYLBYOJYELGW-HIFRSBDPSA-N 2 2 337.420 2.101 10 5 EEBELP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000601334951 468830984 /nfs/dbraw/zinc/83/09/84/468830984.db2.gz OZALQWJWKTVKMI-HIFRSBDPSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)c1 ZINC000601334951 468830988 /nfs/dbraw/zinc/83/09/88/468830988.db2.gz OZALQWJWKTVKMI-HIFRSBDPSA-N 2 2 343.387 2.219 10 5 EEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154412540 224250319 /nfs/dbraw/zinc/25/03/19/224250319.db2.gz SWKRWXFGQZKWMC-SJORKVTESA-N 2 2 330.388 2.298 10 5 EEBELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154412540 224250321 /nfs/dbraw/zinc/25/03/21/224250321.db2.gz SWKRWXFGQZKWMC-SJORKVTESA-N 2 2 330.388 2.298 10 5 EEBELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000267448145 256060426 /nfs/dbraw/zinc/06/04/26/256060426.db2.gz DXMJQRNDRRYLHD-UHFFFAOYSA-N 2 2 326.466 2.114 10 5 EEBELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csc([N+](=O)[O-])c1 ZINC000267448145 256060427 /nfs/dbraw/zinc/06/04/27/256060427.db2.gz DXMJQRNDRRYLHD-UHFFFAOYSA-N 2 2 326.466 2.114 10 5 EEBELP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000109753721 159352496 /nfs/dbraw/zinc/35/24/96/159352496.db2.gz CHLOBDPJIYXTEB-GOSISDBHSA-N 2 2 332.448 2.197 10 5 EEBELP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000109753721 159352498 /nfs/dbraw/zinc/35/24/98/159352498.db2.gz CHLOBDPJIYXTEB-GOSISDBHSA-N 2 2 332.448 2.197 10 5 EEBELP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448973493 467609278 /nfs/dbraw/zinc/60/92/78/467609278.db2.gz BRXWCBBAYJRJRS-CYBMUJFWSA-N 2 2 345.403 2.241 10 5 EEBELP Cn1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836103 469882538 /nfs/dbraw/zinc/88/25/38/469882538.db2.gz LTMMEMMZHMVERO-HNNXBMFYSA-N 2 2 329.404 2.179 10 5 EEBELP Cn1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836103 469882543 /nfs/dbraw/zinc/88/25/43/469882543.db2.gz LTMMEMMZHMVERO-HNNXBMFYSA-N 2 2 329.404 2.179 10 5 EEBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389401 533408555 /nfs/dbraw/zinc/40/85/55/533408555.db2.gz CMXNRFPVGIYTQA-OTMARIDSSA-N 2 2 333.432 2.435 10 5 EEBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389401 533408559 /nfs/dbraw/zinc/40/85/59/533408559.db2.gz CMXNRFPVGIYTQA-OTMARIDSSA-N 2 2 333.432 2.435 10 5 EEBELP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193643851 160184890 /nfs/dbraw/zinc/18/48/90/160184890.db2.gz JAIUPZPBHHBKHQ-BNOWGMLFSA-N 2 2 343.387 2.199 10 5 EEBELP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193643851 160184891 /nfs/dbraw/zinc/18/48/91/160184891.db2.gz JAIUPZPBHHBKHQ-BNOWGMLFSA-N 2 2 343.387 2.199 10 5 EEBELP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193643851 160184892 /nfs/dbraw/zinc/18/48/92/160184892.db2.gz JAIUPZPBHHBKHQ-BNOWGMLFSA-N 2 2 343.387 2.199 10 5 EEBELP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193643851 160184893 /nfs/dbraw/zinc/18/48/93/160184893.db2.gz JAIUPZPBHHBKHQ-BNOWGMLFSA-N 2 2 343.387 2.199 10 5 EEBELP Cc1cc[nH+]cc1N1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000342737946 161086948 /nfs/dbraw/zinc/08/69/48/161086948.db2.gz BPBRKPZOPYCWGZ-UHFFFAOYSA-N 2 2 342.399 2.499 10 5 EEBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@@H+]1CCO ZINC000449389402 467635558 /nfs/dbraw/zinc/63/55/58/467635558.db2.gz CMXNRFPVGIYTQA-RXBGNRNISA-N 2 2 333.432 2.435 10 5 EEBELP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCC[N@H+]1CCO ZINC000449389402 467635560 /nfs/dbraw/zinc/63/55/60/467635560.db2.gz CMXNRFPVGIYTQA-RXBGNRNISA-N 2 2 333.432 2.435 10 5 EEBELP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000137020690 463272565 /nfs/dbraw/zinc/27/25/65/463272565.db2.gz QIJBHLGBRZQLNE-YOEHRIQHSA-N 2 2 342.399 2.457 10 5 EEBELP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000137020690 463272571 /nfs/dbraw/zinc/27/25/71/463272571.db2.gz QIJBHLGBRZQLNE-YOEHRIQHSA-N 2 2 342.399 2.457 10 5 EEBELP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423047682 466689960 /nfs/dbraw/zinc/68/99/60/466689960.db2.gz VIYJTMJTYDJURW-HOTGVXAUSA-N 2 2 339.823 2.147 10 5 EEBELP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453269349 467473893 /nfs/dbraw/zinc/47/38/93/467473893.db2.gz RDDKRPXMUYOWOC-ZWKOTPCHSA-N 2 2 347.459 2.352 10 5 EEBELP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453269349 467473896 /nfs/dbraw/zinc/47/38/96/467473896.db2.gz RDDKRPXMUYOWOC-ZWKOTPCHSA-N 2 2 347.459 2.352 10 5 EEBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476524 468706473 /nfs/dbraw/zinc/70/64/73/468706473.db2.gz XKYLTWSXTSVNLO-KEYYUXOJSA-N 2 2 346.431 2.386 10 5 EEBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476524 468706477 /nfs/dbraw/zinc/70/64/77/468706477.db2.gz XKYLTWSXTSVNLO-KEYYUXOJSA-N 2 2 346.431 2.386 10 5 EEBELP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301708 789336564 /nfs/dbraw/zinc/33/65/64/789336564.db2.gz MUWKPOROTAOUCM-CYBMUJFWSA-N 2 2 325.796 2.059 10 5 EEBELP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923301708 789336574 /nfs/dbraw/zinc/33/65/74/789336574.db2.gz MUWKPOROTAOUCM-CYBMUJFWSA-N 2 2 325.796 2.059 10 5 EEBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000362406278 465713434 /nfs/dbraw/zinc/71/34/34/465713434.db2.gz AXIGEHUKZAZTMD-GUYCJALGSA-N 2 2 346.431 2.070 10 5 EEBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000362406278 465713438 /nfs/dbraw/zinc/71/34/38/465713438.db2.gz AXIGEHUKZAZTMD-GUYCJALGSA-N 2 2 346.431 2.070 10 5 EEBELP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423389293 466735731 /nfs/dbraw/zinc/73/57/31/466735731.db2.gz JGULGASNCZSFTD-DAXOMENPSA-N 2 2 329.404 2.005 10 5 EEBELP COc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420367957 467381284 /nfs/dbraw/zinc/38/12/84/467381284.db2.gz KCMWAYNLKKFISS-KRWDZBQOSA-N 2 2 335.404 2.058 10 5 EEBELP COc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420367957 467381287 /nfs/dbraw/zinc/38/12/87/467381287.db2.gz KCMWAYNLKKFISS-KRWDZBQOSA-N 2 2 335.404 2.058 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000589495715 468157023 /nfs/dbraw/zinc/15/70/23/468157023.db2.gz CUBQOQQCNYNVGP-ZDUSSCGKSA-N 2 2 335.404 2.155 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000589495715 468157026 /nfs/dbraw/zinc/15/70/26/468157026.db2.gz CUBQOQQCNYNVGP-ZDUSSCGKSA-N 2 2 335.404 2.155 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000589495715 468157030 /nfs/dbraw/zinc/15/70/30/468157030.db2.gz CUBQOQQCNYNVGP-ZDUSSCGKSA-N 2 2 335.404 2.155 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000589495715 468157033 /nfs/dbraw/zinc/15/70/33/468157033.db2.gz CUBQOQQCNYNVGP-ZDUSSCGKSA-N 2 2 335.404 2.155 10 5 EEBELP COc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065764 275370724 /nfs/dbraw/zinc/37/07/24/275370724.db2.gz CYTQGOOPMUSJPA-KRWDZBQOSA-N 2 2 335.404 2.010 10 5 EEBELP COc1ccc(OCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065764 275370726 /nfs/dbraw/zinc/37/07/26/275370726.db2.gz CYTQGOOPMUSJPA-KRWDZBQOSA-N 2 2 335.404 2.010 10 5 EEBELP COc1ccc(OCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065764 275370727 /nfs/dbraw/zinc/37/07/27/275370727.db2.gz CYTQGOOPMUSJPA-KRWDZBQOSA-N 2 2 335.404 2.010 10 5 EEBELP COc1ccc(OCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292065764 275370728 /nfs/dbraw/zinc/37/07/28/275370728.db2.gz CYTQGOOPMUSJPA-KRWDZBQOSA-N 2 2 335.404 2.010 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000577528171 320261213 /nfs/dbraw/zinc/26/12/13/320261213.db2.gz FAWJFQFTYXWIOB-UHFFFAOYSA-N 2 2 346.431 2.435 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000577528171 320261214 /nfs/dbraw/zinc/26/12/14/320261214.db2.gz FAWJFQFTYXWIOB-UHFFFAOYSA-N 2 2 346.431 2.435 10 5 EEBELP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872148500 1198056948 /nfs/dbraw/zinc/05/69/48/1198056948.db2.gz JMJQLOJSYDZKHH-MNOVXSKESA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(F)(F)F ZINC000872148500 1198056957 /nfs/dbraw/zinc/05/69/57/1198056957.db2.gz JMJQLOJSYDZKHH-MNOVXSKESA-N 2 2 333.310 2.043 10 5 EEBELP CC[C@H](C[NH+](C)C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000870550495 1200738728 /nfs/dbraw/zinc/73/87/28/1200738728.db2.gz GVEZHDPATARVFR-CYBMUJFWSA-N 2 2 332.360 2.278 10 5 EEBELP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453269343 467473440 /nfs/dbraw/zinc/47/34/40/467473440.db2.gz RDDKRPXMUYOWOC-QZTJIDSGSA-N 2 2 347.459 2.352 10 5 EEBELP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453269343 467473443 /nfs/dbraw/zinc/47/34/43/467473443.db2.gz RDDKRPXMUYOWOC-QZTJIDSGSA-N 2 2 347.459 2.352 10 5 EEBELP Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000611616384 469293650 /nfs/dbraw/zinc/29/36/50/469293650.db2.gz JKAGUVUXSVHHJB-CQSZACIVSA-N 2 2 333.436 2.187 10 5 EEBELP Cc1cc(C)c([N+](=O)[O-])c(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000611616384 469293652 /nfs/dbraw/zinc/29/36/52/469293652.db2.gz JKAGUVUXSVHHJB-CQSZACIVSA-N 2 2 333.436 2.187 10 5 EEBELP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000567871609 468228646 /nfs/dbraw/zinc/22/86/46/468228646.db2.gz XKVKGEBNLULISK-KRWDZBQOSA-N 2 2 335.404 2.188 10 5 EEBELP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c([N+](=O)[O-])cc1OC ZINC000567871609 468228651 /nfs/dbraw/zinc/22/86/51/468228651.db2.gz XKVKGEBNLULISK-KRWDZBQOSA-N 2 2 335.404 2.188 10 5 EEBELP C[NH+](C)CCN1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601103498 468741769 /nfs/dbraw/zinc/74/17/69/468741769.db2.gz AUYBSLZMFWFFCX-UHFFFAOYSA-N 2 2 343.431 2.003 10 5 EEBELP CN(C)CC[NH+]1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601103498 468741771 /nfs/dbraw/zinc/74/17/71/468741771.db2.gz AUYBSLZMFWFFCX-UHFFFAOYSA-N 2 2 343.431 2.003 10 5 EEBELP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001690968351 1176394848 /nfs/dbraw/zinc/39/48/48/1176394848.db2.gz SOOAOSHJYDRWHK-UHFFFAOYSA-N 2 2 348.447 2.017 10 5 EEBELP C[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1[N+](=O)[O-] ZINC001690968351 1176394857 /nfs/dbraw/zinc/39/48/57/1176394857.db2.gz SOOAOSHJYDRWHK-UHFFFAOYSA-N 2 2 348.447 2.017 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903468467 1240564061 /nfs/dbraw/zinc/56/40/61/1240564061.db2.gz LMRPREMVDBBKOM-OAHLLOKOSA-N 2 2 332.404 2.106 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)CCC2 ZINC000453276191 467475177 /nfs/dbraw/zinc/47/51/77/467475177.db2.gz XLJMMSVLDUZILC-SJLPKXTDSA-N 2 2 333.432 2.409 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000453276191 467475181 /nfs/dbraw/zinc/47/51/81/467475181.db2.gz XLJMMSVLDUZILC-SJLPKXTDSA-N 2 2 333.432 2.409 10 5 EEBELP CC[C@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000870546733 1200736978 /nfs/dbraw/zinc/73/69/78/1200736978.db2.gz CSCCCUHRYIMRBA-CYBMUJFWSA-N 2 2 332.360 2.278 10 5 EEBELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355649600 163258715 /nfs/dbraw/zinc/25/87/15/163258715.db2.gz LKMYVQHFZHAYDW-UHFFFAOYSA-N 2 2 328.372 2.321 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266792048 464823441 /nfs/dbraw/zinc/82/34/41/464823441.db2.gz XGZQZLRBQQXRAO-UHFFFAOYSA-N 2 2 343.387 2.444 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595864211 469052901 /nfs/dbraw/zinc/05/29/01/469052901.db2.gz RCHOESSWUJBTIG-RHSMWYFYSA-N 2 2 333.432 2.495 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595864211 469052905 /nfs/dbraw/zinc/05/29/05/469052905.db2.gz RCHOESSWUJBTIG-RHSMWYFYSA-N 2 2 333.432 2.495 10 5 EEBELP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000872152131 1198058467 /nfs/dbraw/zinc/05/84/67/1198058467.db2.gz ZHXVAPJEPYEDRS-MFKMUULPSA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C(F)(F)F ZINC000872152131 1198058475 /nfs/dbraw/zinc/05/84/75/1198058475.db2.gz ZHXVAPJEPYEDRS-MFKMUULPSA-N 2 2 333.310 2.043 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974121 1242808997 /nfs/dbraw/zinc/80/89/97/1242808997.db2.gz MKWGZUHXESMLOW-LLCTXKFZSA-N 2 2 331.416 2.356 10 5 EEBELP CC[C@H]([NH2+][C@H](C)C(=O)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181537155 529663808 /nfs/dbraw/zinc/66/38/08/529663808.db2.gz HPADXRZUOHXETO-PBHICJAKSA-N 2 2 348.447 2.188 10 5 EEBELP Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000364872806 165301588 /nfs/dbraw/zinc/30/15/88/165301588.db2.gz ZXBORLKFHKEIAC-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000364872806 165301592 /nfs/dbraw/zinc/30/15/92/165301592.db2.gz ZXBORLKFHKEIAC-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@@H+]1C ZINC000611273932 469217759 /nfs/dbraw/zinc/21/77/59/469217759.db2.gz DRFWGHVRNJKCFE-OCCSQVGLSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@@H]1C[C@@H]([NH+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[N@H+]1C ZINC000611273932 469217763 /nfs/dbraw/zinc/21/77/63/469217763.db2.gz DRFWGHVRNJKCFE-OCCSQVGLSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+]1C ZINC000611273932 469217768 /nfs/dbraw/zinc/21/77/68/469217768.db2.gz DRFWGHVRNJKCFE-OCCSQVGLSA-N 2 2 335.404 2.281 10 5 EEBELP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC[NH+]1C ZINC000611273932 469217770 /nfs/dbraw/zinc/21/77/70/469217770.db2.gz DRFWGHVRNJKCFE-OCCSQVGLSA-N 2 2 335.404 2.281 10 5 EEBELP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872148503 1198056299 /nfs/dbraw/zinc/05/62/99/1198056299.db2.gz JMJQLOJSYDZKHH-WDEREUQCSA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872148503 1198056308 /nfs/dbraw/zinc/05/63/08/1198056308.db2.gz JMJQLOJSYDZKHH-WDEREUQCSA-N 2 2 333.310 2.043 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173524902 464276500 /nfs/dbraw/zinc/27/65/00/464276500.db2.gz CNFMTSWDUJEBNZ-KGLIPLIRSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173524902 464276507 /nfs/dbraw/zinc/27/65/07/464276507.db2.gz CNFMTSWDUJEBNZ-KGLIPLIRSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173524902 464276510 /nfs/dbraw/zinc/27/65/10/464276510.db2.gz CNFMTSWDUJEBNZ-KGLIPLIRSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173524902 464276511 /nfs/dbraw/zinc/27/65/11/464276511.db2.gz CNFMTSWDUJEBNZ-KGLIPLIRSA-N 2 2 334.420 2.256 10 5 EEBELP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305807191 466470268 /nfs/dbraw/zinc/47/02/68/466470268.db2.gz GRMRPQKKUXAFQC-MSOLQXFVSA-N 2 2 329.400 2.196 10 5 EEBELP CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409941 467398819 /nfs/dbraw/zinc/39/88/19/467398819.db2.gz XRNSVRHZMNAKBR-WMLDXEAASA-N 2 2 346.431 2.022 10 5 EEBELP CN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409941 467398823 /nfs/dbraw/zinc/39/88/23/467398823.db2.gz XRNSVRHZMNAKBR-WMLDXEAASA-N 2 2 346.431 2.022 10 5 EEBELP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600712647 468629158 /nfs/dbraw/zinc/62/91/58/468629158.db2.gz ZCGHRZKYIWPQKB-ARFHVFGLSA-N 2 2 329.404 2.148 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123808504 222334061 /nfs/dbraw/zinc/33/40/61/222334061.db2.gz SJPCSEIDKUVXKD-ZIAGYGMSSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123808504 222334064 /nfs/dbraw/zinc/33/40/64/222334064.db2.gz SJPCSEIDKUVXKD-ZIAGYGMSSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123808504 222334067 /nfs/dbraw/zinc/33/40/67/222334067.db2.gz SJPCSEIDKUVXKD-ZIAGYGMSSA-N 2 2 334.420 2.256 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123808504 222334070 /nfs/dbraw/zinc/33/40/70/222334070.db2.gz SJPCSEIDKUVXKD-ZIAGYGMSSA-N 2 2 334.420 2.256 10 5 EEBELP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000265483148 464575712 /nfs/dbraw/zinc/57/57/12/464575712.db2.gz LLIJLFZDEJQYQP-UHFFFAOYSA-N 2 2 329.360 2.136 10 5 EEBELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253539 466574261 /nfs/dbraw/zinc/57/42/61/466574261.db2.gz OBAHSKOWLGKFGA-RTBURBONSA-N 2 2 341.411 2.340 10 5 EEBELP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253539 466574264 /nfs/dbraw/zinc/57/42/64/466574264.db2.gz OBAHSKOWLGKFGA-RTBURBONSA-N 2 2 341.411 2.340 10 5 EEBELP C[NH+]1CCC([NH+]2CCC(Nc3ncc(F)cc3[N+](=O)[O-])CC2)CC1 ZINC000601109881 468745102 /nfs/dbraw/zinc/74/51/02/468745102.db2.gz VIUSKPWCNPPKDA-UHFFFAOYSA-N 2 2 337.399 2.099 10 5 EEBELP Cc1cc(NCC[N@@H+](C)CCC[NH+](C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596423848 485612924 /nfs/dbraw/zinc/61/29/24/485612924.db2.gz DDDCKNJWURZQRQ-UHFFFAOYSA-N 3 2 345.447 2.169 10 5 EEBELP Cc1cc(NCC[N@H+](C)CCC[NH+](C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596423848 485612931 /nfs/dbraw/zinc/61/29/31/485612931.db2.gz DDDCKNJWURZQRQ-UHFFFAOYSA-N 3 2 345.447 2.169 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923539484 789744094 /nfs/dbraw/zinc/74/40/94/789744094.db2.gz PLVIBLWWOPCFBB-GOSISDBHSA-N 2 2 346.431 2.450 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923539484 789744101 /nfs/dbraw/zinc/74/41/01/789744101.db2.gz PLVIBLWWOPCFBB-GOSISDBHSA-N 2 2 346.431 2.450 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000597236499 468490516 /nfs/dbraw/zinc/49/05/16/468490516.db2.gz RAGASHOHKUHQEK-RCFWFJCLSA-N 2 2 331.416 2.139 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000597236499 468490520 /nfs/dbraw/zinc/49/05/20/468490520.db2.gz RAGASHOHKUHQEK-RCFWFJCLSA-N 2 2 331.416 2.139 10 5 EEBELP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC(c3[nH]cc[nH+]3)CC1)OCCO2 ZINC000611266511 469214812 /nfs/dbraw/zinc/21/48/12/469214812.db2.gz MWASPWDPLGTLCS-UHFFFAOYSA-N 2 2 344.371 2.469 10 5 EEBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436196 160234491 /nfs/dbraw/zinc/23/44/91/160234491.db2.gz QVSJBEFJNWYLJN-ZFWWWQNUSA-N 2 2 334.420 2.195 10 5 EEBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436196 160234493 /nfs/dbraw/zinc/23/44/93/160234493.db2.gz QVSJBEFJNWYLJN-ZFWWWQNUSA-N 2 2 334.420 2.195 10 5 EEBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436196 160234494 /nfs/dbraw/zinc/23/44/94/160234494.db2.gz QVSJBEFJNWYLJN-ZFWWWQNUSA-N 2 2 334.420 2.195 10 5 EEBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245436196 160234496 /nfs/dbraw/zinc/23/44/96/160234496.db2.gz QVSJBEFJNWYLJN-ZFWWWQNUSA-N 2 2 334.420 2.195 10 5 EEBELP COc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000355650344 163259256 /nfs/dbraw/zinc/25/92/56/163259256.db2.gz NETSBWUWNLEPBJ-UHFFFAOYSA-N 2 2 328.372 2.321 10 5 EEBELP C[NH+]1CCC(CNc2ncccc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000078457527 463117884 /nfs/dbraw/zinc/11/78/84/463117884.db2.gz ZHFVQFDJHJLRET-UHFFFAOYSA-N 2 2 333.436 2.352 10 5 EEBELP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000282040788 464677369 /nfs/dbraw/zinc/67/73/69/464677369.db2.gz LMLFBKDAZLOJPJ-CQSZACIVSA-N 2 2 344.419 2.204 10 5 EEBELP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCOCC1 ZINC000600678860 468618856 /nfs/dbraw/zinc/61/88/56/468618856.db2.gz WCBCXMKHRHDODA-UHFFFAOYSA-N 2 2 331.372 2.452 10 5 EEBELP C[NH+](C)C[C@]1(O)CCCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000601189794 468775989 /nfs/dbraw/zinc/77/59/89/468775989.db2.gz VPBKAZSVLFYPSN-QGZVFWFLSA-N 2 2 330.388 2.036 10 5 EEBELP C[NH+](C)CCC[N@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853799055 1292458936 /nfs/dbraw/zinc/45/89/36/1292458936.db2.gz NMKZSVZMERDMKP-UHFFFAOYSA-N 2 2 337.449 2.500 10 5 EEBELP C[NH+](C)CCC[N@@H+](C)CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000853799055 1292458942 /nfs/dbraw/zinc/45/89/42/1292458942.db2.gz NMKZSVZMERDMKP-UHFFFAOYSA-N 2 2 337.449 2.500 10 5 EEBELP C[NH+]1CCC(CNc2ccc([N+](=O)[O-])nc2)([NH+]2CCCCC2)CC1 ZINC000445599503 315359187 /nfs/dbraw/zinc/35/91/87/315359187.db2.gz HZMZXPHLGXRULO-UHFFFAOYSA-N 2 2 333.436 2.352 10 5 EEBELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154412440 462765518 /nfs/dbraw/zinc/76/55/18/462765518.db2.gz SWKRWXFGQZKWMC-IRXDYDNUSA-N 2 2 330.388 2.298 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000192721799 464984695 /nfs/dbraw/zinc/98/46/95/464984695.db2.gz MYUPTMFFZGEHMB-FUHWJXTLSA-N 2 2 333.432 2.409 10 5 EEBELP COc1cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1O ZINC000370134448 466772502 /nfs/dbraw/zinc/77/25/02/466772502.db2.gz XHPZRVWGQAIKHQ-UHFFFAOYSA-N 2 2 335.404 2.416 10 5 EEBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393241 467636715 /nfs/dbraw/zinc/63/67/15/467636715.db2.gz LUQBZDYJLMVLAH-DOTOQJQBSA-N 2 2 335.448 2.352 10 5 EEBELP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393241 467636717 /nfs/dbraw/zinc/63/67/17/467636717.db2.gz LUQBZDYJLMVLAH-DOTOQJQBSA-N 2 2 335.448 2.352 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000590375031 468242070 /nfs/dbraw/zinc/24/20/70/468242070.db2.gz DZIOEAFBNNIBPE-GOSISDBHSA-N 2 2 347.415 2.299 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000590375031 468242074 /nfs/dbraw/zinc/24/20/74/468242074.db2.gz DZIOEAFBNNIBPE-GOSISDBHSA-N 2 2 347.415 2.299 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000590375031 468242080 /nfs/dbraw/zinc/24/20/80/468242080.db2.gz DZIOEAFBNNIBPE-GOSISDBHSA-N 2 2 347.415 2.299 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000590375031 468242083 /nfs/dbraw/zinc/24/20/83/468242083.db2.gz DZIOEAFBNNIBPE-GOSISDBHSA-N 2 2 347.415 2.299 10 5 EEBELP [NH3+]CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1 ZINC000261843848 463876869 /nfs/dbraw/zinc/87/68/69/463876869.db2.gz WYUOTIYLWACXRM-UHFFFAOYSA-N 2 2 329.400 2.477 10 5 EEBELP [NH3+]CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1 ZINC000261843848 463876876 /nfs/dbraw/zinc/87/68/76/463876876.db2.gz WYUOTIYLWACXRM-UHFFFAOYSA-N 2 2 329.400 2.477 10 5 EEBELP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601333316 468829983 /nfs/dbraw/zinc/82/99/83/468829983.db2.gz CDCGOWHUIWISMH-WMLDXEAASA-N 2 2 346.431 2.306 10 5 EEBELP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601333316 468829985 /nfs/dbraw/zinc/82/99/85/468829985.db2.gz CDCGOWHUIWISMH-WMLDXEAASA-N 2 2 346.431 2.306 10 5 EEBELP CC(C)[NH2+]C1(CO)CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599082729 469110798 /nfs/dbraw/zinc/11/07/98/469110798.db2.gz GJFDAEYCAKGYAF-UHFFFAOYSA-N 2 2 344.415 2.472 10 5 EEBELP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(O)ccc3[N+](=O)[O-])CC2)C1 ZINC000593726631 469111815 /nfs/dbraw/zinc/11/18/15/469111815.db2.gz QLVNPISQURFHRC-YOEHRIQHSA-N 2 2 335.404 2.019 10 5 EEBELP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261886643 682017809 /nfs/dbraw/zinc/01/78/09/682017809.db2.gz FZLBFOJJTAEUAW-IMJJTQAJSA-N 2 2 339.823 2.495 10 5 EEBELP O=C(CC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000923539965 789744160 /nfs/dbraw/zinc/74/41/60/789744160.db2.gz RGLUJJNSCDAVDF-KRWDZBQOSA-N 2 2 332.404 2.141 10 5 EEBELP O=C(CC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000923539965 789744167 /nfs/dbraw/zinc/74/41/67/789744167.db2.gz RGLUJJNSCDAVDF-KRWDZBQOSA-N 2 2 332.404 2.141 10 5 EEBELP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000103492659 204080946 /nfs/dbraw/zinc/08/09/46/204080946.db2.gz YYHPNBWPWRZERE-HNNXBMFYSA-N 2 2 348.447 2.142 10 5 EEBELP CN(C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409942 467399108 /nfs/dbraw/zinc/39/91/08/467399108.db2.gz XRNSVRHZMNAKBR-YOEHRIQHSA-N 2 2 346.431 2.022 10 5 EEBELP CN(C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409942 467399112 /nfs/dbraw/zinc/39/91/12/467399112.db2.gz XRNSVRHZMNAKBR-YOEHRIQHSA-N 2 2 346.431 2.022 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000589495919 468157172 /nfs/dbraw/zinc/15/71/72/468157172.db2.gz LQGJBMIJGYZGLQ-CYBMUJFWSA-N 2 2 344.371 2.484 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000589495919 468157176 /nfs/dbraw/zinc/15/71/76/468157176.db2.gz LQGJBMIJGYZGLQ-CYBMUJFWSA-N 2 2 344.371 2.484 10 5 EEBELP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872148498 1198056656 /nfs/dbraw/zinc/05/66/56/1198056656.db2.gz JMJQLOJSYDZKHH-GHMZBOCLSA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000872148498 1198056664 /nfs/dbraw/zinc/05/66/64/1198056664.db2.gz JMJQLOJSYDZKHH-GHMZBOCLSA-N 2 2 333.310 2.043 10 5 EEBELP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282241160 464748820 /nfs/dbraw/zinc/74/88/20/464748820.db2.gz ZZUYMSKHTSPYOB-CQSZACIVSA-N 2 2 344.419 2.204 10 5 EEBELP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000282241160 464748826 /nfs/dbraw/zinc/74/88/26/464748826.db2.gz ZZUYMSKHTSPYOB-CQSZACIVSA-N 2 2 344.419 2.204 10 5 EEBELP Cc1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1[N+](=O)[O-] ZINC000301844039 466044158 /nfs/dbraw/zinc/04/41/58/466044158.db2.gz LKIXIIGQTSNLAL-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP Cc1ccnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-] ZINC000301844039 466044165 /nfs/dbraw/zinc/04/41/65/466044165.db2.gz LKIXIIGQTSNLAL-XYPWUTKMSA-N 2 2 345.447 2.045 10 5 EEBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363419518 466391856 /nfs/dbraw/zinc/39/18/56/466391856.db2.gz VXNHTYDRCAJZQB-MAUKXSAKSA-N 2 2 332.448 2.368 10 5 EEBELP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363419518 466391861 /nfs/dbraw/zinc/39/18/61/466391861.db2.gz VXNHTYDRCAJZQB-MAUKXSAKSA-N 2 2 332.448 2.368 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000597236497 468490645 /nfs/dbraw/zinc/49/06/45/468490645.db2.gz RAGASHOHKUHQEK-MAVJXHJTSA-N 2 2 331.416 2.139 10 5 EEBELP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000597236497 468490651 /nfs/dbraw/zinc/49/06/51/468490651.db2.gz RAGASHOHKUHQEK-MAVJXHJTSA-N 2 2 331.416 2.139 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434980459 467438823 /nfs/dbraw/zinc/43/88/23/467438823.db2.gz FAMCNDLIMMZGMK-UHFFFAOYSA-N 2 2 343.387 2.444 10 5 EEBELP Cn1cc[nH+]c1[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000600712383 468628803 /nfs/dbraw/zinc/62/88/03/468628803.db2.gz XKRYLCQLFMRPLV-CVEARBPZSA-N 2 2 341.415 2.292 10 5 EEBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255948 1201476719 /nfs/dbraw/zinc/47/67/19/1201476719.db2.gz HFLMQOPKUFUZBE-CZUORRHYSA-N 2 2 339.411 2.365 10 5 EEBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255948 1201476722 /nfs/dbraw/zinc/47/67/22/1201476722.db2.gz HFLMQOPKUFUZBE-CZUORRHYSA-N 2 2 339.411 2.365 10 5 EEBELP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000171389490 463856873 /nfs/dbraw/zinc/85/68/73/463856873.db2.gz PSERRLSKEGNHCT-UHFFFAOYSA-N 2 2 346.431 2.341 10 5 EEBELP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174890369 464464848 /nfs/dbraw/zinc/46/48/48/464464848.db2.gz ZISKDXFXRQNIPU-SFHVURJKSA-N 2 2 332.448 2.197 10 5 EEBELP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000174890369 464464854 /nfs/dbraw/zinc/46/48/54/464464854.db2.gz ZISKDXFXRQNIPU-SFHVURJKSA-N 2 2 332.448 2.197 10 5 EEBELP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601333189 468829514 /nfs/dbraw/zinc/82/95/14/468829514.db2.gz CDCGOWHUIWISMH-RHSMWYFYSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cccc1[N+](=O)[O-] ZINC000601333189 468829523 /nfs/dbraw/zinc/82/95/23/468829523.db2.gz CDCGOWHUIWISMH-RHSMWYFYSA-N 2 2 346.431 2.306 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905588 469074987 /nfs/dbraw/zinc/07/49/87/469074987.db2.gz DTMVBHIVVFECHS-MRXNPFEDSA-N 2 2 337.420 2.146 10 5 EEBELP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595905588 469074996 /nfs/dbraw/zinc/07/49/96/469074996.db2.gz DTMVBHIVVFECHS-MRXNPFEDSA-N 2 2 337.420 2.146 10 5 EEBELP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301709 789337129 /nfs/dbraw/zinc/33/71/29/789337129.db2.gz MUWKPOROTAOUCM-ZDUSSCGKSA-N 2 2 325.796 2.059 10 5 EEBELP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923301709 789337139 /nfs/dbraw/zinc/33/71/39/789337139.db2.gz MUWKPOROTAOUCM-ZDUSSCGKSA-N 2 2 325.796 2.059 10 5 EEBELP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000565667267 319203526 /nfs/dbraw/zinc/20/35/26/319203526.db2.gz RCXACOKMKIKTEI-UHFFFAOYSA-N 2 2 332.404 2.127 10 5 EEBELP [NH3+]CC12CCC(CC1)C[N@H+]2CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000565667267 319203527 /nfs/dbraw/zinc/20/35/27/319203527.db2.gz RCXACOKMKIKTEI-UHFFFAOYSA-N 2 2 332.404 2.127 10 5 EEBELP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000355646259 163258266 /nfs/dbraw/zinc/25/82/66/163258266.db2.gz FNOXNOKFETYSNC-UHFFFAOYSA-N 2 2 328.372 2.321 10 5 EEBELP C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863096 463480352 /nfs/dbraw/zinc/48/03/52/463480352.db2.gz XKKGDNAMHGQRIZ-UHFFFAOYSA-N 2 2 343.431 2.388 10 5 EEBELP C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000105863096 463480356 /nfs/dbraw/zinc/48/03/56/463480356.db2.gz XKKGDNAMHGQRIZ-UHFFFAOYSA-N 2 2 343.431 2.388 10 5 EEBELP CN(C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409939 467399414 /nfs/dbraw/zinc/39/94/14/467399414.db2.gz XRNSVRHZMNAKBR-PBHICJAKSA-N 2 2 346.431 2.022 10 5 EEBELP CN(C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000420409939 467399418 /nfs/dbraw/zinc/39/94/18/467399418.db2.gz XRNSVRHZMNAKBR-PBHICJAKSA-N 2 2 346.431 2.022 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000589516182 468159124 /nfs/dbraw/zinc/15/91/24/468159124.db2.gz LUMCWLCMFRMMCI-ZDUSSCGKSA-N 2 2 344.371 2.104 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000589516182 468159128 /nfs/dbraw/zinc/15/91/28/468159128.db2.gz LUMCWLCMFRMMCI-ZDUSSCGKSA-N 2 2 344.371 2.104 10 5 EEBELP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181053 468646793 /nfs/dbraw/zinc/64/67/93/468646793.db2.gz AXNYHRXDUMYXFP-UHFFFAOYSA-N 2 2 349.431 2.290 10 5 EEBELP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592181053 468646801 /nfs/dbraw/zinc/64/68/01/468646801.db2.gz AXNYHRXDUMYXFP-UHFFFAOYSA-N 2 2 349.431 2.290 10 5 EEBELP CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000870550496 1200738797 /nfs/dbraw/zinc/73/87/97/1200738797.db2.gz GVEZHDPATARVFR-ZDUSSCGKSA-N 2 2 332.360 2.278 10 5 EEBELP O=C(CC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000923539966 789744918 /nfs/dbraw/zinc/74/49/18/789744918.db2.gz RGLUJJNSCDAVDF-QGZVFWFLSA-N 2 2 332.404 2.141 10 5 EEBELP O=C(CC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2)Nc1ccc([N+](=O)[O-])cc1 ZINC000923539966 789744925 /nfs/dbraw/zinc/74/49/25/789744925.db2.gz RGLUJJNSCDAVDF-QGZVFWFLSA-N 2 2 332.404 2.141 10 5 EEBELP CC1(C)CC(Nc2ncnc(-n3cc[nH+]c3)c2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000040645301 213363893 /nfs/dbraw/zinc/36/38/93/213363893.db2.gz YPPIOOVWTAMRBU-UHFFFAOYSA-N 2 2 345.407 2.292 10 5 EEBELP Cn1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000600768891 468652117 /nfs/dbraw/zinc/65/21/17/468652117.db2.gz HOYFYXYFGLYYBE-INIZCTEOSA-N 2 2 341.415 2.370 10 5 EEBELP Cc1[nH+]ccn1-c1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001543797116 1124135073 /nfs/dbraw/zinc/13/50/73/1124135073.db2.gz NRLWUCGZGVJBJM-UHFFFAOYSA-N 2 2 338.327 2.318 10 5 EEBELP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751300 463647490 /nfs/dbraw/zinc/64/74/90/463647490.db2.gz JQSGGBWJYHVLBE-SFHVURJKSA-N 2 2 332.448 2.197 10 5 EEBELP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109751300 463647494 /nfs/dbraw/zinc/64/74/94/463647494.db2.gz JQSGGBWJYHVLBE-SFHVURJKSA-N 2 2 332.448 2.197 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000589518318 468159420 /nfs/dbraw/zinc/15/94/20/468159420.db2.gz GYYBFQCGOBFHCV-XYPWUTKMSA-N 2 2 347.415 2.438 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000589518318 468159422 /nfs/dbraw/zinc/15/94/22/468159422.db2.gz GYYBFQCGOBFHCV-XYPWUTKMSA-N 2 2 347.415 2.438 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000589518318 468159424 /nfs/dbraw/zinc/15/94/24/468159424.db2.gz GYYBFQCGOBFHCV-XYPWUTKMSA-N 2 2 347.415 2.438 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000589518318 468159425 /nfs/dbraw/zinc/15/94/25/468159425.db2.gz GYYBFQCGOBFHCV-XYPWUTKMSA-N 2 2 347.415 2.438 10 5 EEBELP COC[C@@](C)([NH3+])CNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000072284408 463497172 /nfs/dbraw/zinc/49/71/72/463497172.db2.gz ZYWJMGHRMSGDPF-INIZCTEOSA-N 2 2 331.376 2.136 10 5 EEBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476522 468706842 /nfs/dbraw/zinc/70/68/42/468706842.db2.gz XKYLTWSXTSVNLO-CPUCHLNUSA-N 2 2 346.431 2.386 10 5 EEBELP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592476522 468706844 /nfs/dbraw/zinc/70/68/44/468706844.db2.gz XKYLTWSXTSVNLO-CPUCHLNUSA-N 2 2 346.431 2.386 10 5 EEBELP COc1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473050 468866605 /nfs/dbraw/zinc/86/66/05/468866605.db2.gz SWFJVYZLTSZAEY-MRXNPFEDSA-N 2 2 349.431 2.290 10 5 EEBELP COc1cc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000595473050 468866609 /nfs/dbraw/zinc/86/66/09/468866609.db2.gz SWFJVYZLTSZAEY-MRXNPFEDSA-N 2 2 349.431 2.290 10 5 EEBELP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728657 469110932 /nfs/dbraw/zinc/11/09/32/469110932.db2.gz BIIAQXCNUAOSIV-KBRIMQKVSA-N 2 2 335.404 2.161 10 5 EEBELP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728657 469110937 /nfs/dbraw/zinc/11/09/37/469110937.db2.gz BIIAQXCNUAOSIV-KBRIMQKVSA-N 2 2 335.404 2.161 10 5 EEBELP O=[N+]([O-])c1ccc2cc[nH+]c(NC[C@H](O)C[NH+]3CCCCC3)c2c1 ZINC000413053556 312777169 /nfs/dbraw/zinc/77/71/69/312777169.db2.gz KBZWPFNQNDYSQI-HNNXBMFYSA-N 2 2 330.388 2.402 10 5 EEBELP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000137020730 463272027 /nfs/dbraw/zinc/27/20/27/463272027.db2.gz QIJBHLGBRZQLNE-PBHICJAKSA-N 2 2 342.399 2.457 10 5 EEBELP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000137020730 463272031 /nfs/dbraw/zinc/27/20/31/463272031.db2.gz QIJBHLGBRZQLNE-PBHICJAKSA-N 2 2 342.399 2.457 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595864208 469052788 /nfs/dbraw/zinc/05/27/88/469052788.db2.gz RCHOESSWUJBTIG-PBHICJAKSA-N 2 2 333.432 2.495 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595864208 469052791 /nfs/dbraw/zinc/05/27/91/469052791.db2.gz RCHOESSWUJBTIG-PBHICJAKSA-N 2 2 333.432 2.495 10 5 EEBELP O=[N+]([O-])c1c(NCCC[NH+]2CCC(O)CC2)ccc2c[nH+]ccc21 ZINC000599024257 469092144 /nfs/dbraw/zinc/09/21/44/469092144.db2.gz OEQLMRSMLIFMRE-UHFFFAOYSA-N 2 2 330.388 2.402 10 5 EEBELP O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000176245852 464731158 /nfs/dbraw/zinc/73/11/58/464731158.db2.gz CIIYBLYFNFYTTA-MRXNPFEDSA-N 2 2 335.452 2.379 10 5 EEBELP O=[N+]([O-])c1ccn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000176245852 464731162 /nfs/dbraw/zinc/73/11/62/464731162.db2.gz CIIYBLYFNFYTTA-MRXNPFEDSA-N 2 2 335.452 2.379 10 5 EEBELP C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cn2)([NH+]2CCCCC2)CC1 ZINC000301429611 465962108 /nfs/dbraw/zinc/96/21/08/465962108.db2.gz FRFANPPAWHOELK-UHFFFAOYSA-N 2 2 333.436 2.352 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)CCC2 ZINC000453276194 467474866 /nfs/dbraw/zinc/47/48/66/467474866.db2.gz XLJMMSVLDUZILC-WMZOPIPTSA-N 2 2 333.432 2.409 10 5 EEBELP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000453276194 467474869 /nfs/dbraw/zinc/47/48/69/467474869.db2.gz XLJMMSVLDUZILC-WMZOPIPTSA-N 2 2 333.432 2.409 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000589515150 468157778 /nfs/dbraw/zinc/15/77/78/468157778.db2.gz KGECZBNIIBKOKP-OAHLLOKOSA-N 2 2 335.404 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000589515150 468157783 /nfs/dbraw/zinc/15/77/83/468157783.db2.gz KGECZBNIIBKOKP-OAHLLOKOSA-N 2 2 335.404 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000589505125 468158156 /nfs/dbraw/zinc/15/81/56/468158156.db2.gz BOBHNXZNZHYVIX-GOEBONIOSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000589505125 468158161 /nfs/dbraw/zinc/15/81/61/468158161.db2.gz BOBHNXZNZHYVIX-GOEBONIOSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000589505125 468158164 /nfs/dbraw/zinc/15/81/64/468158164.db2.gz BOBHNXZNZHYVIX-GOEBONIOSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000589505125 468158168 /nfs/dbraw/zinc/15/81/68/468158168.db2.gz BOBHNXZNZHYVIX-GOEBONIOSA-N 2 2 347.415 2.298 10 5 EEBELP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872147460 1198055075 /nfs/dbraw/zinc/05/50/75/1198055075.db2.gz BGICDRHDXZJFNP-MFKMUULPSA-N 2 2 333.310 2.043 10 5 EEBELP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872147460 1198055081 /nfs/dbraw/zinc/05/50/81/1198055081.db2.gz BGICDRHDXZJFNP-MFKMUULPSA-N 2 2 333.310 2.043 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903468018 1240562923 /nfs/dbraw/zinc/56/29/23/1240562923.db2.gz GMNCLAGCBHPRTN-OAHLLOKOSA-N 2 2 332.404 2.106 10 5 EEBELP O=[N+]([O-])c1ccc2cc[nH+]c(NCCCC[NH+]3CCOCC3)c2c1 ZINC000413055789 467161855 /nfs/dbraw/zinc/16/18/55/467161855.db2.gz BLJWDJZRYATNCR-UHFFFAOYSA-N 2 2 330.388 2.667 10 5 EEBELP Cn1c[nH+]cc1C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001460962837 1110330030 /nfs/dbraw/zinc/33/00/30/1110330030.db2.gz IEPVNJMPIKHOJB-QGZVFWFLSA-N 2 2 330.388 2.241 10 5 EEBELP COc1cc(NCC[NH+]2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000268149591 256119670 /nfs/dbraw/zinc/11/96/70/256119670.db2.gz DVKFROMHFNGVIQ-UHFFFAOYSA-N 2 2 340.399 2.180 10 5 EEBELP Cn1cc(C[NH+]2CCC3(CC[NH2+]3)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000422565508 314283785 /nfs/dbraw/zinc/28/37/85/314283785.db2.gz ZBVMAVAUTYTJAJ-UHFFFAOYSA-N 2 2 341.415 2.323 10 5 EEBELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423408760 466742012 /nfs/dbraw/zinc/74/20/12/466742012.db2.gz XXLNHONINMFHIE-KCXAZCMYSA-N 2 2 329.404 2.005 10 5 EEBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476445 468706972 /nfs/dbraw/zinc/70/69/72/468706972.db2.gz SUBJIOICCKKUDE-CKEIUWERSA-N 2 2 346.431 2.386 10 5 EEBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476445 468706975 /nfs/dbraw/zinc/70/69/75/468706975.db2.gz SUBJIOICCKKUDE-CKEIUWERSA-N 2 2 346.431 2.386 10 5 EEBELP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601333317 468829883 /nfs/dbraw/zinc/82/98/83/468829883.db2.gz CDCGOWHUIWISMH-YOEHRIQHSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cccc1[N+](=O)[O-] ZINC000601333317 468829887 /nfs/dbraw/zinc/82/98/87/468829887.db2.gz CDCGOWHUIWISMH-YOEHRIQHSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335426 468830446 /nfs/dbraw/zinc/83/04/46/468830446.db2.gz UIKGCZKRSKOWBM-PBHICJAKSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335426 468830451 /nfs/dbraw/zinc/83/04/51/468830451.db2.gz UIKGCZKRSKOWBM-PBHICJAKSA-N 2 2 346.431 2.306 10 5 EEBELP Cn1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836104 469882588 /nfs/dbraw/zinc/88/25/88/469882588.db2.gz LTMMEMMZHMVERO-OAHLLOKOSA-N 2 2 329.404 2.179 10 5 EEBELP Cn1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000608836104 469882590 /nfs/dbraw/zinc/88/25/90/469882590.db2.gz LTMMEMMZHMVERO-OAHLLOKOSA-N 2 2 329.404 2.179 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000589505132 468158512 /nfs/dbraw/zinc/15/85/12/468158512.db2.gz BOBHNXZNZHYVIX-ZBFHGGJFSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000589505132 468158513 /nfs/dbraw/zinc/15/85/13/468158513.db2.gz BOBHNXZNZHYVIX-ZBFHGGJFSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000589505132 468158520 /nfs/dbraw/zinc/15/85/20/468158520.db2.gz BOBHNXZNZHYVIX-ZBFHGGJFSA-N 2 2 347.415 2.298 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000589505132 468158522 /nfs/dbraw/zinc/15/85/22/468158522.db2.gz BOBHNXZNZHYVIX-ZBFHGGJFSA-N 2 2 347.415 2.298 10 5 EEBELP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872023593 1198028664 /nfs/dbraw/zinc/02/86/64/1198028664.db2.gz SVVSFYXEBDJZEF-CQSZACIVSA-N 2 2 338.427 2.412 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000183327650 235010293 /nfs/dbraw/zinc/01/02/93/235010293.db2.gz YTATZAQRLFIOSX-MRXNPFEDSA-N 2 2 333.432 2.447 10 5 EEBELP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000183327650 235010297 /nfs/dbraw/zinc/01/02/97/235010297.db2.gz YTATZAQRLFIOSX-MRXNPFEDSA-N 2 2 333.432 2.447 10 5 EEBELP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000246306912 160273015 /nfs/dbraw/zinc/27/30/15/160273015.db2.gz QIJBHLGBRZQLNE-RHSMWYFYSA-N 2 2 342.399 2.457 10 5 EEBELP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000246306912 160273018 /nfs/dbraw/zinc/27/30/18/160273018.db2.gz QIJBHLGBRZQLNE-RHSMWYFYSA-N 2 2 342.399 2.457 10 5 EEBELP C[NH+](C)[C@H]1C[C@@H](CNc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])C1 ZINC000594591220 468629936 /nfs/dbraw/zinc/62/99/36/468629936.db2.gz IEAMXQLRABMGCR-IYBDPMFKSA-N 2 2 348.447 2.179 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335429 468830285 /nfs/dbraw/zinc/83/02/85/468830285.db2.gz UIKGCZKRSKOWBM-RHSMWYFYSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335429 468830290 /nfs/dbraw/zinc/83/02/90/468830290.db2.gz UIKGCZKRSKOWBM-RHSMWYFYSA-N 2 2 346.431 2.306 10 5 EEBELP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261886642 682017567 /nfs/dbraw/zinc/01/75/67/682017567.db2.gz FZLBFOJJTAEUAW-FVQBIDKESA-N 2 2 339.823 2.495 10 5 EEBELP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095489 217360561 /nfs/dbraw/zinc/36/05/61/217360561.db2.gz ZBBOOGRVMUBALU-PBHICJAKSA-N 2 2 348.447 2.220 10 5 EEBELP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095489 217360564 /nfs/dbraw/zinc/36/05/64/217360564.db2.gz ZBBOOGRVMUBALU-PBHICJAKSA-N 2 2 348.447 2.220 10 5 EEBELP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095489 217360569 /nfs/dbraw/zinc/36/05/69/217360569.db2.gz ZBBOOGRVMUBALU-PBHICJAKSA-N 2 2 348.447 2.220 10 5 EEBELP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000081095489 217360571 /nfs/dbraw/zinc/36/05/71/217360571.db2.gz ZBBOOGRVMUBALU-PBHICJAKSA-N 2 2 348.447 2.220 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000589495714 468156345 /nfs/dbraw/zinc/15/63/45/468156345.db2.gz CUBQOQQCNYNVGP-CYBMUJFWSA-N 2 2 335.404 2.155 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000589495714 468156351 /nfs/dbraw/zinc/15/63/51/468156351.db2.gz CUBQOQQCNYNVGP-CYBMUJFWSA-N 2 2 335.404 2.155 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000589495714 468156355 /nfs/dbraw/zinc/15/63/55/468156355.db2.gz CUBQOQQCNYNVGP-CYBMUJFWSA-N 2 2 335.404 2.155 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000589495714 468156361 /nfs/dbraw/zinc/15/63/61/468156361.db2.gz CUBQOQQCNYNVGP-CYBMUJFWSA-N 2 2 335.404 2.155 10 5 EEBELP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000595905882 469075434 /nfs/dbraw/zinc/07/54/34/469075434.db2.gz IDRAKHHVYBREGG-OAHLLOKOSA-N 2 2 337.420 2.016 10 5 EEBELP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CCO1 ZINC000595905882 469075440 /nfs/dbraw/zinc/07/54/40/469075440.db2.gz IDRAKHHVYBREGG-OAHLLOKOSA-N 2 2 337.420 2.016 10 5 EEBELP C[N@@H+]1C[C@]23C[NH+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001660700423 1354520253 /nfs/dbraw/zinc/52/02/53/1354520253.db2.gz JEIRSSRSDQMWEB-GBESFXJTSA-N 2 2 345.443 2.436 10 5 EEBELP C[N@H+]1C[C@]23C[NH+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001660700423 1354520257 /nfs/dbraw/zinc/52/02/57/1354520257.db2.gz JEIRSSRSDQMWEB-GBESFXJTSA-N 2 2 345.443 2.436 10 5 EEBELP C[NH+]1C[C@]23C[N@H+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001660700423 1354520260 /nfs/dbraw/zinc/52/02/60/1354520260.db2.gz JEIRSSRSDQMWEB-GBESFXJTSA-N 2 2 345.443 2.436 10 5 EEBELP C[NH+]1C[C@]23C[N@@H+](C[C@H](O)c4cccc([N+](=O)[O-])c4)C[C@@]2(C1)CCCC3 ZINC001660700423 1354520263 /nfs/dbraw/zinc/52/02/63/1354520263.db2.gz JEIRSSRSDQMWEB-GBESFXJTSA-N 2 2 345.443 2.436 10 5 EEBELP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253537 466573948 /nfs/dbraw/zinc/57/39/48/466573948.db2.gz OBAHSKOWLGKFGA-RBUKOAKNSA-N 2 2 341.411 2.340 10 5 EEBELP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2cccc([N+](=O)[O-])c2)C1 ZINC000358253537 466573953 /nfs/dbraw/zinc/57/39/53/466573953.db2.gz OBAHSKOWLGKFGA-RBUKOAKNSA-N 2 2 341.411 2.340 10 5 EEBELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1[nH+]ccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000423389295 466735979 /nfs/dbraw/zinc/73/59/79/466735979.db2.gz JGULGASNCZSFTD-UHOFOFEASA-N 2 2 329.404 2.005 10 5 EEBELP Cn1cc[nH+]c1[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000600709686 468628026 /nfs/dbraw/zinc/62/80/26/468628026.db2.gz PNKCMMGTRDSVOV-JKSUJKDBSA-N 2 2 341.415 2.292 10 5 EEBELP O=[N+]([O-])c1ccc(CC[NH+]2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931287948 1206622232 /nfs/dbraw/zinc/62/22/32/1206622232.db2.gz DNDRWTBLBIPZSM-UHFFFAOYSA-N 2 2 333.432 2.324 10 5 EEBELP O=[N+]([O-])c1ccc(CC[NH+]2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931287948 1206622233 /nfs/dbraw/zinc/62/22/33/1206622233.db2.gz DNDRWTBLBIPZSM-UHFFFAOYSA-N 2 2 333.432 2.324 10 5 EEBELP C[N@H+]1C[C@@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]2C1 ZINC000193623155 160184258 /nfs/dbraw/zinc/18/42/58/160184258.db2.gz RRJNAROQWNJRCX-OKILXGFUSA-N 2 2 328.372 2.243 10 5 EEBELP C[N@@H+]1C[C@@H]2C[NH+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]2C1 ZINC000193623155 160184260 /nfs/dbraw/zinc/18/42/60/160184260.db2.gz RRJNAROQWNJRCX-OKILXGFUSA-N 2 2 328.372 2.243 10 5 EEBELP C[NH+]1C[C@@H]2C[N@@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]2C1 ZINC000193623155 160184264 /nfs/dbraw/zinc/18/42/64/160184264.db2.gz RRJNAROQWNJRCX-OKILXGFUSA-N 2 2 328.372 2.243 10 5 EEBELP C[NH+]1C[C@@H]2C[N@H+](Cc3coc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@@H]2C1 ZINC000193623155 160184266 /nfs/dbraw/zinc/18/42/66/160184266.db2.gz RRJNAROQWNJRCX-OKILXGFUSA-N 2 2 328.372 2.243 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397072 467393700 /nfs/dbraw/zinc/39/37/00/467393700.db2.gz MFIRGDSGSRPALX-WMLDXEAASA-N 2 2 346.431 2.306 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397072 467393703 /nfs/dbraw/zinc/39/37/03/467393703.db2.gz MFIRGDSGSRPALX-WMLDXEAASA-N 2 2 346.431 2.306 10 5 EEBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@@H+]1CCO ZINC000449393242 467637126 /nfs/dbraw/zinc/63/71/26/467637126.db2.gz LUQBZDYJLMVLAH-NVXWUHKLSA-N 2 2 335.448 2.352 10 5 EEBELP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCC[N@H+]1CCO ZINC000449393242 467637128 /nfs/dbraw/zinc/63/71/28/467637128.db2.gz LUQBZDYJLMVLAH-NVXWUHKLSA-N 2 2 335.448 2.352 10 5 EEBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476448 468706623 /nfs/dbraw/zinc/70/66/23/468706623.db2.gz SUBJIOICCKKUDE-JKIFEVAISA-N 2 2 346.431 2.386 10 5 EEBELP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592476448 468706628 /nfs/dbraw/zinc/70/66/28/468706628.db2.gz SUBJIOICCKKUDE-JKIFEVAISA-N 2 2 346.431 2.386 10 5 EEBELP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCc4[nH+]c[nH]c4C3)CC2)cc1 ZINC000810252857 1199404927 /nfs/dbraw/zinc/40/49/27/1199404927.db2.gz KFVCKUVKWUXMIM-AWEZNQCLSA-N 2 2 341.415 2.434 10 5 EEBELP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000593739078 469118063 /nfs/dbraw/zinc/11/80/63/469118063.db2.gz VIMNNQQLCOXJBA-DXCKQFNASA-N 2 2 335.404 2.019 10 5 EEBELP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(O)ccc3[N+](=O)[O-])C2)C1 ZINC000593739078 469118071 /nfs/dbraw/zinc/11/80/71/469118071.db2.gz VIMNNQQLCOXJBA-DXCKQFNASA-N 2 2 335.404 2.019 10 5 EEBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255947 1201476856 /nfs/dbraw/zinc/47/68/56/1201476856.db2.gz HFLMQOPKUFUZBE-CJNGLKHVSA-N 2 2 339.411 2.365 10 5 EEBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866255947 1201476859 /nfs/dbraw/zinc/47/68/59/1201476859.db2.gz HFLMQOPKUFUZBE-CJNGLKHVSA-N 2 2 339.411 2.365 10 5 EEBELP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422916783 285110613 /nfs/dbraw/zinc/11/06/13/285110613.db2.gz FAYGJMQCVBWJOV-ROUUACIJSA-N 2 2 333.432 2.274 10 5 EEBELP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453269346 467473542 /nfs/dbraw/zinc/47/35/42/467473542.db2.gz RDDKRPXMUYOWOC-ROUUACIJSA-N 2 2 347.459 2.352 10 5 EEBELP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453269346 467473548 /nfs/dbraw/zinc/47/35/48/467473548.db2.gz RDDKRPXMUYOWOC-ROUUACIJSA-N 2 2 347.459 2.352 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000589501960 468158271 /nfs/dbraw/zinc/15/82/71/468158271.db2.gz LXSNADUBGLEHBL-WFASDCNBSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000589501960 468158275 /nfs/dbraw/zinc/15/82/75/468158275.db2.gz LXSNADUBGLEHBL-WFASDCNBSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000589501960 468158277 /nfs/dbraw/zinc/15/82/77/468158277.db2.gz LXSNADUBGLEHBL-WFASDCNBSA-N 2 2 335.404 2.296 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000589501960 468158280 /nfs/dbraw/zinc/15/82/80/468158280.db2.gz LXSNADUBGLEHBL-WFASDCNBSA-N 2 2 335.404 2.296 10 5 EEBELP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000600774365 468654183 /nfs/dbraw/zinc/65/41/83/468654183.db2.gz JXPZILGQEKKQQE-JKSUJKDBSA-N 2 2 329.404 2.225 10 5 EEBELP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728659 469111579 /nfs/dbraw/zinc/11/15/79/469111579.db2.gz BIIAQXCNUAOSIV-XYPHTWIQSA-N 2 2 335.404 2.161 10 5 EEBELP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000593728659 469111580 /nfs/dbraw/zinc/11/15/80/469111580.db2.gz BIIAQXCNUAOSIV-XYPHTWIQSA-N 2 2 335.404 2.161 10 5 EEBELP COc1ccc(OCC[NH2+][C@@H]2CC[NH2+]C23CCCC3)c([N+](=O)[O-])c1 ZINC000903484501 1240620133 /nfs/dbraw/zinc/62/01/33/1240620133.db2.gz SNXVQGQKUYKKQU-MRXNPFEDSA-N 2 2 335.404 2.247 10 5 EEBELP Cn1cc[nH+]c1[C@H](NCC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423358851 303003692 /nfs/dbraw/zinc/00/36/92/303003692.db2.gz OCAKTFNOZAQZDR-GDBMZVCRSA-N 2 2 329.404 2.149 10 5 EEBELP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000423408761 466742197 /nfs/dbraw/zinc/74/21/97/466742197.db2.gz XXLNHONINMFHIE-UHOFOFEASA-N 2 2 329.404 2.005 10 5 EEBELP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033608 468746574 /nfs/dbraw/zinc/74/65/74/468746574.db2.gz GZRVPXGNAHHAIR-UKRRQHHQSA-N 2 2 337.420 2.365 10 5 EEBELP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033608 468746577 /nfs/dbraw/zinc/74/65/77/468746577.db2.gz GZRVPXGNAHHAIR-UKRRQHHQSA-N 2 2 337.420 2.365 10 5 EEBELP COc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000595905320 469074823 /nfs/dbraw/zinc/07/48/23/469074823.db2.gz BOSVNBUWCFEATN-OAHLLOKOSA-N 2 2 337.420 2.146 10 5 EEBELP COc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000595905320 469074832 /nfs/dbraw/zinc/07/48/32/469074832.db2.gz BOSVNBUWCFEATN-OAHLLOKOSA-N 2 2 337.420 2.146 10 5 EEBELP C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189896252 533406383 /nfs/dbraw/zinc/40/63/83/533406383.db2.gz WEZBQMGLROEDMI-CYBMUJFWSA-N 2 2 326.360 2.328 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000589516125 468159994 /nfs/dbraw/zinc/15/99/94/468159994.db2.gz FOUYTHJXHYBAMW-UHFFFAOYSA-N 2 2 346.387 2.408 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000589516125 468159996 /nfs/dbraw/zinc/15/99/96/468159996.db2.gz FOUYTHJXHYBAMW-UHFFFAOYSA-N 2 2 346.387 2.408 10 5 EEBELP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](c1[nH+]ccn1C)c1cccc([N+](=O)[O-])c1 ZINC000600712649 468628533 /nfs/dbraw/zinc/62/85/33/468628533.db2.gz ZCGHRZKYIWPQKB-XHSDSOJGSA-N 2 2 329.404 2.148 10 5 EEBELP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000453269341 467473173 /nfs/dbraw/zinc/47/31/73/467473173.db2.gz RDDKRPXMUYOWOC-MSOLQXFVSA-N 2 2 347.459 2.352 10 5 EEBELP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000453269341 467473177 /nfs/dbraw/zinc/47/31/77/467473177.db2.gz RDDKRPXMUYOWOC-MSOLQXFVSA-N 2 2 347.459 2.352 10 5 EEBELP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033613 468746827 /nfs/dbraw/zinc/74/68/27/468746827.db2.gz GZRVPXGNAHHAIR-ZFWWWQNUSA-N 2 2 337.420 2.365 10 5 EEBELP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595033613 468746832 /nfs/dbraw/zinc/74/68/32/468746832.db2.gz GZRVPXGNAHHAIR-ZFWWWQNUSA-N 2 2 337.420 2.365 10 5 EEBELP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342601443 312264647 /nfs/dbraw/zinc/26/46/47/312264647.db2.gz VQPVRDPCNFILNO-UHFFFAOYSA-N 2 2 343.387 2.444 10 5 EEBELP [NH3+]CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000261706902 463833914 /nfs/dbraw/zinc/83/39/14/463833914.db2.gz GTVUKLQRSGSQEG-UHFFFAOYSA-N 2 2 329.400 2.477 10 5 EEBELP [NH3+]CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1 ZINC000261706902 463833916 /nfs/dbraw/zinc/83/39/16/463833916.db2.gz GTVUKLQRSGSQEG-UHFFFAOYSA-N 2 2 329.400 2.477 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413103 467400755 /nfs/dbraw/zinc/40/07/55/467400755.db2.gz ZRDMDWWKIMHMDK-HUUCEWRRSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420413103 467400759 /nfs/dbraw/zinc/40/07/59/467400759.db2.gz ZRDMDWWKIMHMDK-HUUCEWRRSA-N 2 2 346.431 2.306 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000590375032 468242507 /nfs/dbraw/zinc/24/25/07/468242507.db2.gz DZIOEAFBNNIBPE-SFHVURJKSA-N 2 2 347.415 2.299 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000590375032 468242512 /nfs/dbraw/zinc/24/25/12/468242512.db2.gz DZIOEAFBNNIBPE-SFHVURJKSA-N 2 2 347.415 2.299 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000590375032 468242514 /nfs/dbraw/zinc/24/25/14/468242514.db2.gz DZIOEAFBNNIBPE-SFHVURJKSA-N 2 2 347.415 2.299 10 5 EEBELP COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000590375032 468242518 /nfs/dbraw/zinc/24/25/18/468242518.db2.gz DZIOEAFBNNIBPE-SFHVURJKSA-N 2 2 347.415 2.299 10 5 EEBELP C[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[NH2+]1 ZINC000600777442 468655318 /nfs/dbraw/zinc/65/53/18/468655318.db2.gz UEUWOVSOMIQUAX-WFASDCNBSA-N 2 2 329.404 2.225 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000601335872 468830820 /nfs/dbraw/zinc/83/08/20/468830820.db2.gz ZDQDRNNXPZPDGM-HIFRSBDPSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)n2)cc1 ZINC000601335872 468830822 /nfs/dbraw/zinc/83/08/22/468830822.db2.gz ZDQDRNNXPZPDGM-HIFRSBDPSA-N 2 2 343.387 2.219 10 5 EEBELP O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000174863955 464459593 /nfs/dbraw/zinc/45/95/93/464459593.db2.gz JPENFDGIYLDFJO-MRXNPFEDSA-N 2 2 335.452 2.379 10 5 EEBELP O=[N+]([O-])c1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000174863955 464459598 /nfs/dbraw/zinc/45/95/98/464459598.db2.gz JPENFDGIYLDFJO-MRXNPFEDSA-N 2 2 335.452 2.379 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413102 467400252 /nfs/dbraw/zinc/40/02/52/467400252.db2.gz ZRDMDWWKIMHMDK-GJZGRUSLSA-N 2 2 346.431 2.306 10 5 EEBELP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420413102 467400256 /nfs/dbraw/zinc/40/02/56/467400256.db2.gz ZRDMDWWKIMHMDK-GJZGRUSLSA-N 2 2 346.431 2.306 10 5 EEBELP C[C@@H]1CC[C@@H](N[C@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600712179 468628562 /nfs/dbraw/zinc/62/85/62/468628562.db2.gz XJHJYLKVFWPWRH-XPKDYRNWSA-N 2 2 329.404 2.148 10 5 EEBELP C[C@@H]1CC[C@H](N[C@@H](c2[nH+]ccn2C)c2cccc([N+](=O)[O-])c2)C[NH2+]1 ZINC000600712177 468628839 /nfs/dbraw/zinc/62/88/39/468628839.db2.gz XJHJYLKVFWPWRH-IVMMDQJWSA-N 2 2 329.404 2.148 10 5 EEBELP COc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000601326207 468828132 /nfs/dbraw/zinc/82/81/32/468828132.db2.gz KSPXDWYFHPYVMJ-MWLCHTKSSA-N 2 2 345.346 2.231 10 5 EEBELP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000601326207 468828135 /nfs/dbraw/zinc/82/81/35/468828135.db2.gz KSPXDWYFHPYVMJ-MWLCHTKSSA-N 2 2 345.346 2.231 10 5 EEBELP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906730 469074628 /nfs/dbraw/zinc/07/46/28/469074628.db2.gz MKJXUIGURUVING-KRWDZBQOSA-N 2 2 337.420 2.016 10 5 EEBELP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595906730 469074636 /nfs/dbraw/zinc/07/46/36/469074636.db2.gz MKJXUIGURUVING-KRWDZBQOSA-N 2 2 337.420 2.016 10 5 EEBELP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000593726551 469111152 /nfs/dbraw/zinc/11/11/52/469111152.db2.gz NTQMXUJFFJZKOB-NVXWUHKLSA-N 2 2 335.404 2.019 10 5 EEBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001621533043 1352369187 /nfs/dbraw/zinc/36/91/87/1352369187.db2.gz XNJWFURVGFZVPL-WZEYAMKMSA-N 2 2 332.448 2.222 10 5 EEBELP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001621533043 1352369190 /nfs/dbraw/zinc/36/91/90/1352369190.db2.gz XNJWFURVGFZVPL-WZEYAMKMSA-N 2 2 332.448 2.222 10 5 EEBELP