smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247013018 160305828 /nfs/dbraw/zinc/30/58/28/160305828.db2.gz QBURJAMMFIKMLA-GDBMZVCRSA-N 2 0 346.431 2.340 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342098316 161039274 /nfs/dbraw/zinc/03/92/74/161039274.db2.gz IFJVEFUKVLMYNH-IMJJTQAJSA-N 2 0 346.431 2.291 20 5 EEBDRP COc1cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000337404095 465349784 /nfs/dbraw/zinc/34/97/84/465349784.db2.gz LUVBFSISAUERAH-MRXNPFEDSA-N 2 0 349.431 2.148 20 5 EEBDRP C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000192832486 465006641 /nfs/dbraw/zinc/00/66/41/465006641.db2.gz LYBLEZMATROGFF-KSSFIOAISA-N 2 0 332.448 2.198 20 5 EEBDRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420337021 467364483 /nfs/dbraw/zinc/36/44/83/467364483.db2.gz JGYYYRYBYKDMFI-GJZGRUSLSA-N 2 0 346.431 2.245 20 5 EEBDRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592493917 468710937 /nfs/dbraw/zinc/71/09/37/468710937.db2.gz VFJVPSVDXPHQQX-HUUCEWRRSA-N 2 0 346.431 2.245 20 5 EEBDRP CC[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602525081 469349755 /nfs/dbraw/zinc/34/97/55/469349755.db2.gz QFXHBONFDNIQRC-OAHLLOKOSA-N 2 0 347.463 2.280 20 5 EEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873012091 1198473852 /nfs/dbraw/zinc/47/38/52/1198473852.db2.gz MOGLECFLMBXQGD-HNNXBMFYSA-N 2 0 334.464 2.327 20 5 EEBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001157102523 1318404376 /nfs/dbraw/zinc/40/43/76/1318404376.db2.gz ZOHBAMLIRNASDU-UHFFFAOYSA-N 2 0 336.783 2.472 20 5 EEBDRP C[NH+](C)CCOc1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ccc1[N+](=O)[O-] ZINC001162983392 1321004918 /nfs/dbraw/zinc/00/49/18/1321004918.db2.gz VJPBHGHHGSDLEW-DLBZAZTESA-N 2 0 334.420 2.232 20 5 EEBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001356532440 1373201964 /nfs/dbraw/zinc/20/19/64/1373201964.db2.gz KGLPCBJICBUABA-GOSISDBHSA-N 2 0 342.399 2.282 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909657 797167947 /nfs/dbraw/zinc/16/79/47/797167947.db2.gz UUQIHPBWYULTTE-INIZCTEOSA-N 2 0 347.463 2.298 20 5 EEBDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000422947891 240303749 /nfs/dbraw/zinc/30/37/49/240303749.db2.gz QSACJGXSVBAAQH-ZDUSSCGKSA-N 2 0 335.404 2.006 20 5 EEBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121638522 292266604 /nfs/dbraw/zinc/26/66/04/292266604.db2.gz PGXXPUGSRWDQGT-UHFFFAOYSA-N 2 0 335.452 2.379 20 5 EEBDRP C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374919023 167068616 /nfs/dbraw/zinc/06/86/16/167068616.db2.gz SXMNALPUTWNBLK-DOTOQJQBSA-N 2 0 343.431 2.292 20 5 EEBDRP Cc1cc(N2CC[NH+]([C@@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363665417 280559588 /nfs/dbraw/zinc/55/95/88/280559588.db2.gz NIZFWFFCAIRDLJ-OAHLLOKOSA-N 2 0 342.399 2.362 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414783848 313088115 /nfs/dbraw/zinc/08/81/15/313088115.db2.gz RGUFKAPYVNPIEV-SJLPKXTDSA-N 2 0 346.475 2.191 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414904026 313110941 /nfs/dbraw/zinc/11/09/41/313110941.db2.gz JLORPAWHQAVAFO-CXAGYDPISA-N 2 0 334.420 2.291 20 5 EEBDRP Cn1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414936894 313112450 /nfs/dbraw/zinc/11/24/50/313112450.db2.gz ZNILCBLSWDOAQM-GJZGRUSLSA-N 2 0 329.404 2.355 20 5 EEBDRP C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367026825 466080035 /nfs/dbraw/zinc/08/00/35/466080035.db2.gz DDCPDWHIKUAGFS-QFBILLFUSA-N 2 0 346.475 2.095 20 5 EEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349826463 466260339 /nfs/dbraw/zinc/26/03/39/466260339.db2.gz CIQFLKGRCSGLGC-GMNBZTITSA-N 2 0 332.448 2.224 20 5 EEBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000349826465 466260644 /nfs/dbraw/zinc/26/06/44/466260644.db2.gz CIQFLKGRCSGLGC-WRLNGNIRSA-N 2 0 332.448 2.224 20 5 EEBDRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423387987 466735735 /nfs/dbraw/zinc/73/57/35/466735735.db2.gz MJSYXCGRPBDRKE-FZMZJTMJSA-N 2 0 346.353 2.082 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423515834 466763682 /nfs/dbraw/zinc/76/36/82/466763682.db2.gz VVVHMQYUQLMWNG-FAEJEUNOSA-N 2 0 346.475 2.332 20 5 EEBDRP [NH3+]C[C@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430648871 467455123 /nfs/dbraw/zinc/45/51/23/467455123.db2.gz RHOPHCHWENSWEQ-CYBMUJFWSA-N 2 0 330.388 2.463 20 5 EEBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000583944874 468777726 /nfs/dbraw/zinc/77/77/26/468777726.db2.gz ZHYAGRCIYSSTGU-PBHICJAKSA-N 2 0 333.432 2.409 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000593733405 469114779 /nfs/dbraw/zinc/11/47/79/469114779.db2.gz MNOLDLDJQLZTAF-DZGCQCFKSA-N 2 0 337.420 2.432 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)CC2)cn1 ZINC000602509478 469343243 /nfs/dbraw/zinc/34/32/43/469343243.db2.gz HFRSMGUBIUDPRQ-CQSZACIVSA-N 2 0 345.447 2.033 20 5 EEBDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843353057 1315897329 /nfs/dbraw/zinc/89/73/29/1315897329.db2.gz AMOVQDRLJPNBTM-RYUDHWBXSA-N 2 0 338.383 2.122 20 5 EEBDRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001153308708 1316808347 /nfs/dbraw/zinc/80/83/47/1316808347.db2.gz CRYSEGHELRFUPA-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001203925892 1321991328 /nfs/dbraw/zinc/99/13/28/1321991328.db2.gz YDVXTYOUWBZNRX-UHFFFAOYSA-N 2 0 348.447 2.016 20 5 EEBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000809741289 783349541 /nfs/dbraw/zinc/34/95/41/783349541.db2.gz LYRJHJVMWGJPMB-UHFFFAOYSA-N 2 0 328.844 2.173 20 5 EEBDRP C[NH+](C)CCN(CC[NH+](C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914806 797148240 /nfs/dbraw/zinc/14/82/40/797148240.db2.gz JDGKXQWVWAQTBM-SFHVURJKSA-N 2 0 348.491 2.267 20 5 EEBDRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173013959 797196559 /nfs/dbraw/zinc/19/65/59/797196559.db2.gz IOCGSGBJNXPDSH-LSDHHAIUSA-N 2 0 340.374 2.311 20 5 EEBDRP CC1(C)C[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169142095 803633862 /nfs/dbraw/zinc/63/38/62/803633862.db2.gz FZTQORORDZJPKR-PXAZEXFGSA-N 2 0 348.451 2.027 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000423548374 304811653 /nfs/dbraw/zinc/81/16/53/304811653.db2.gz QXNVKDAQKWTSAX-CQJMVSDSSA-N 2 0 333.436 2.253 20 5 EEBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424285534 467022562 /nfs/dbraw/zinc/02/25/62/467022562.db2.gz FRSSMNDLINVIRZ-CQSZACIVSA-N 2 0 346.431 2.306 20 5 EEBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CC[NH2+]CC2)s1 ZINC000414860623 467440021 /nfs/dbraw/zinc/44/00/21/467440021.db2.gz CTTISFXHOTWFFE-UHFFFAOYSA-N 2 0 346.456 2.318 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435620335 467482259 /nfs/dbraw/zinc/48/22/59/467482259.db2.gz BEAAQKMHSMSHRT-AWEZNQCLSA-N 2 0 334.420 2.306 20 5 EEBDRP CC(C)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000449075318 467616604 /nfs/dbraw/zinc/61/66/04/467616604.db2.gz MQJLSMKCDVLQCH-QFBILLFUSA-N 2 0 348.491 2.387 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000594494865 468608093 /nfs/dbraw/zinc/60/80/93/468608093.db2.gz JMNUNRMBWJSRJA-SFHVURJKSA-N 2 0 333.432 2.370 20 5 EEBDRP O=[N+]([O-])c1ccccc1N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000592475602 468705484 /nfs/dbraw/zinc/70/54/84/468705484.db2.gz PUHZCNTYCSGDCA-UHFFFAOYSA-N 2 0 332.448 2.497 20 5 EEBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592489130 468709629 /nfs/dbraw/zinc/70/96/29/468709629.db2.gz RENPHSVPLQATTM-UONOGXRCSA-N 2 0 334.420 2.291 20 5 EEBDRP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246565745 1310345072 /nfs/dbraw/zinc/34/50/72/1310345072.db2.gz ZNZDEKFOAUVFHQ-AEFFLSMTSA-N 2 0 333.432 2.018 20 5 EEBDRP [NH3+]CCc1cn(-c2ncnc3ccc([N+](=O)[O-])cc32)c2cc[nH+]cc12 ZINC001160945814 1320326489 /nfs/dbraw/zinc/32/64/89/1320326489.db2.gz NIPNVJDJSWPAOL-UHFFFAOYSA-N 2 0 334.339 2.378 20 5 EEBDRP C[C@H](N[C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001576235470 1343986388 /nfs/dbraw/zinc/98/63/88/1343986388.db2.gz UVFPMOJGZCNFBF-AQUOVQTQSA-N 2 0 340.811 2.291 20 5 EEBDRP CN(C(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC001118198787 1371778479 /nfs/dbraw/zinc/77/84/79/1371778479.db2.gz SFGLGEYVFQKOEN-UHFFFAOYSA-N 2 0 346.431 2.023 20 5 EEBDRP [NH3+]C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000923401454 789502311 /nfs/dbraw/zinc/50/23/11/789502311.db2.gz NGLKDDCPNVBXPR-BNOWGMLFSA-N 2 0 347.337 2.087 20 5 EEBDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172895187 797147694 /nfs/dbraw/zinc/14/76/94/797147694.db2.gz AMTKQFRMOJEBAQ-GOSISDBHSA-N 2 0 346.475 2.069 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001168992540 803559940 /nfs/dbraw/zinc/55/99/40/803559940.db2.gz KNLASRZRSJVKBW-ROUUACIJSA-N 2 0 332.448 2.329 20 5 EEBDRP COc1ccccc1CC1([NH3+])CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000667 803565872 /nfs/dbraw/zinc/56/58/72/803565872.db2.gz YOVPUASEIJSEPY-WBVHZDCISA-N 2 0 347.459 2.476 20 5 EEBDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000107371560 204235220 /nfs/dbraw/zinc/23/52/20/204235220.db2.gz KBUVVBKWIJKNLO-KRWDZBQOSA-N 2 0 332.448 2.115 20 5 EEBDRP COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000342106113 161039863 /nfs/dbraw/zinc/03/98/63/161039863.db2.gz OUSVOUOAKKTCHB-NWANDNLSSA-N 2 0 335.404 2.041 20 5 EEBDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000368835719 166135637 /nfs/dbraw/zinc/13/56/37/166135637.db2.gz UJHUQWHIUDPQQP-UHFFFAOYSA-N 2 0 346.475 2.444 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414799210 313092603 /nfs/dbraw/zinc/09/26/03/313092603.db2.gz JXEDUXGOPXKPBV-DVOMOZLQSA-N 2 0 334.420 2.419 20 5 EEBDRP C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000578231794 320302782 /nfs/dbraw/zinc/30/27/82/320302782.db2.gz KRYDHYIKQCCHHB-AWEZNQCLSA-N 2 0 334.420 2.245 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271905046 464408260 /nfs/dbraw/zinc/40/82/60/464408260.db2.gz WJVRNOYFBNZDBR-ZDUSSCGKSA-N 2 0 332.404 2.163 20 5 EEBDRP CN1CC[NH+](CC2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000265431091 464556160 /nfs/dbraw/zinc/55/61/60/464556160.db2.gz MUNCQSVNKXSFRK-UHFFFAOYSA-N 2 0 332.448 2.054 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218378 466698731 /nfs/dbraw/zinc/69/87/31/466698731.db2.gz RXHNJNZNUSFSMK-MGPQQGTHSA-N 2 0 334.420 2.290 20 5 EEBDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420385257 467389527 /nfs/dbraw/zinc/38/95/27/467389527.db2.gz SQFTXYAIUODQSZ-QZTJIDSGSA-N 2 0 333.432 2.356 20 5 EEBDRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592493919 468710783 /nfs/dbraw/zinc/71/07/83/468710783.db2.gz VFJVPSVDXPHQQX-LSDHHAIUSA-N 2 0 346.431 2.245 20 5 EEBDRP O=[N+]([O-])c1cnn(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000610447572 468970956 /nfs/dbraw/zinc/97/09/56/468970956.db2.gz DSQXGSMABQFZSH-UHFFFAOYSA-N 2 0 335.452 2.379 20 5 EEBDRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)C1CCCC1 ZINC000872158646 1198065218 /nfs/dbraw/zinc/06/52/18/1198065218.db2.gz WRHHAEZXDJMKOY-GOEBONIOSA-N 2 0 335.452 2.411 20 5 EEBDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980082 1297891079 /nfs/dbraw/zinc/89/10/79/1297891079.db2.gz RGZQDJRSUQQUQT-HNNXBMFYSA-N 2 0 337.427 2.439 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120923713 292259049 /nfs/dbraw/zinc/25/90/49/292259049.db2.gz ZTIYTQNXSZKDKI-GDBMZVCRSA-N 2 0 334.464 2.437 20 5 EEBDRP CC[NH2+]CC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430595140 314555530 /nfs/dbraw/zinc/55/55/30/314555530.db2.gz HEOCWHYEHMTFRB-UHFFFAOYSA-N 2 0 337.420 2.304 20 5 EEBDRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000150819445 463434243 /nfs/dbraw/zinc/43/42/43/463434243.db2.gz ZNPWKRJJPKOOBC-HNNXBMFYSA-N 2 0 346.431 2.341 20 5 EEBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420337028 467364824 /nfs/dbraw/zinc/36/48/24/467364824.db2.gz JGYYYRYBYKDMFI-LSDHHAIUSA-N 2 0 346.431 2.245 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415008644 467467700 /nfs/dbraw/zinc/46/77/00/467467700.db2.gz NBYHYOVWNYEJHY-OAUYIBNBSA-N 2 0 346.431 2.290 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000447530340 467587846 /nfs/dbraw/zinc/58/78/46/467587846.db2.gz MIHZBBDMESQZPF-FXUDXRNXSA-N 2 0 333.436 2.491 20 5 EEBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592489560 468710587 /nfs/dbraw/zinc/71/05/87/468710587.db2.gz YSWBPXFAGCUPAD-UKRRQHHQSA-N 2 0 334.420 2.291 20 5 EEBDRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733338 469114547 /nfs/dbraw/zinc/11/45/47/469114547.db2.gz LQGJUYXQANKWHL-CZUORRHYSA-N 2 0 334.420 2.373 20 5 EEBDRP [NH3+]CCCC[NH2+]CCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246459545 1310316531 /nfs/dbraw/zinc/31/65/31/1310316531.db2.gz XEMLZQLCNNNBLF-KRWDZBQOSA-N 3 0 334.464 2.150 20 5 EEBDRP CC(C)(C(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC001163832791 1321228738 /nfs/dbraw/zinc/22/87/38/1321228738.db2.gz HWHVAMWCBIKGKP-UHFFFAOYSA-N 2 0 348.447 2.065 20 5 EEBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001575082032 1343729755 /nfs/dbraw/zinc/72/97/55/1343729755.db2.gz LAPMMZGLJUTNKO-CQSZACIVSA-N 2 0 346.431 2.387 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)C1 ZINC001169008056 803569500 /nfs/dbraw/zinc/56/95/00/803569500.db2.gz RHJKGEZUYQODCC-QZTJIDSGSA-N 2 0 339.480 2.256 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423543935 240525196 /nfs/dbraw/zinc/52/51/96/240525196.db2.gz CMPJGEMYZOPOBQ-CYBMUJFWSA-N 2 0 332.404 2.211 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342100384 161039395 /nfs/dbraw/zinc/03/93/95/161039395.db2.gz KCOKEZBLBOYXOH-NUEKZKHPSA-N 2 0 346.431 2.291 20 5 EEBDRP COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000342106114 161039833 /nfs/dbraw/zinc/03/98/33/161039833.db2.gz OUSVOUOAKKTCHB-QEJZJMRPSA-N 2 0 335.404 2.041 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856211 313103524 /nfs/dbraw/zinc/10/35/24/313103524.db2.gz OBPGLXYQISRQBF-HZSPNIEDSA-N 2 0 334.420 2.290 20 5 EEBDRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000192963223 465019772 /nfs/dbraw/zinc/01/97/72/465019772.db2.gz AAIOMOOTGDZDTM-UHFFFAOYSA-N 2 0 334.464 2.443 20 5 EEBDRP CN(C)CC[N@H+](C)CCCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000344025613 465578446 /nfs/dbraw/zinc/57/84/46/465578446.db2.gz JCZFZHVJMZNSKZ-UHFFFAOYSA-N 2 0 326.416 2.049 20 5 EEBDRP COc1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])cc1OC ZINC000357054496 465730856 /nfs/dbraw/zinc/73/08/56/465730856.db2.gz QESNPHDYOLDYFC-AWEZNQCLSA-N 2 0 349.431 2.434 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338899 467366968 /nfs/dbraw/zinc/36/69/68/467366968.db2.gz OFQXWUPKEIVGGO-GASCZTMLSA-N 2 0 346.431 2.163 20 5 EEBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000420344463 467370524 /nfs/dbraw/zinc/37/05/24/467370524.db2.gz SVPAYBDMSFASHB-OKILXGFUSA-N 2 0 343.387 2.076 20 5 EEBDRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420385259 467389850 /nfs/dbraw/zinc/38/98/50/467389850.db2.gz SQFTXYAIUODQSZ-ROUUACIJSA-N 2 0 333.432 2.356 20 5 EEBDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435372451 467463408 /nfs/dbraw/zinc/46/34/08/467463408.db2.gz RHEZVJROOACXFN-CHWSQXEVSA-N 2 0 329.404 2.164 20 5 EEBDRP COc1cc(CNC[C@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000598994240 469080852 /nfs/dbraw/zinc/08/08/52/469080852.db2.gz HAFRWBPWJPLHFC-CYBMUJFWSA-N 2 0 337.420 2.434 20 5 EEBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783678096 1304326038 /nfs/dbraw/zinc/32/60/38/1304326038.db2.gz CMULJZZZYAKTPF-ZDUSSCGKSA-N 2 0 340.855 2.364 20 5 EEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783678095 1304326220 /nfs/dbraw/zinc/32/62/20/1304326220.db2.gz CMULJZZZYAKTPF-CYBMUJFWSA-N 2 0 340.855 2.364 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)c1F ZINC001246476653 1310319442 /nfs/dbraw/zinc/31/94/42/1310319442.db2.gz LFNNSPIUPLNKHQ-GVXVVHGQSA-N 2 0 343.374 2.211 20 5 EEBDRP [NH3+]CCCCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000842473227 1315712385 /nfs/dbraw/zinc/71/23/85/1315712385.db2.gz RGANLPIHDGYOBQ-UHFFFAOYSA-N 2 0 348.447 2.262 20 5 EEBDRP C[N@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000843352678 1315897661 /nfs/dbraw/zinc/89/76/61/1315897661.db2.gz JQEAAIOFDSTHBF-UHFFFAOYSA-N 2 0 340.811 2.388 20 5 EEBDRP C[NH+]1C(C)(C)CC(Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])CC1(C)C ZINC001170449889 810866625 /nfs/dbraw/zinc/86/66/25/810866625.db2.gz AEZGVCUPCUKAFP-UHFFFAOYSA-N 2 0 348.451 2.135 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591281566 468437368 /nfs/dbraw/zinc/43/73/68/468437368.db2.gz AARNNIOAEUDWDZ-DOMZBBRYSA-N 2 0 332.404 2.044 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423508093 466761619 /nfs/dbraw/zinc/76/16/19/466761619.db2.gz NMMBXWZVWYOBSY-DUVNUKRYSA-N 2 0 329.404 2.135 20 5 EEBDRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424287037 467022540 /nfs/dbraw/zinc/02/25/40/467022540.db2.gz IGAWCGIJWOVWMC-AWEZNQCLSA-N 2 0 346.431 2.387 20 5 EEBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420347070 467373316 /nfs/dbraw/zinc/37/33/16/467373316.db2.gz ZXPMGKCKGNDNQG-KFWWJZLASA-N 2 0 346.431 2.243 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420422305 467403220 /nfs/dbraw/zinc/40/32/20/467403220.db2.gz ZFSRUIKAZMRJJY-GXTWGEPZSA-N 2 0 334.420 2.149 20 5 EEBDRP Cc1c(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000431041072 467490304 /nfs/dbraw/zinc/49/03/04/467490304.db2.gz ZUDOCJHXUNFVLT-AWEZNQCLSA-N 2 0 346.431 2.306 20 5 EEBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000594495880 468609398 /nfs/dbraw/zinc/60/93/98/468609398.db2.gz UDQHJQXIRITOEV-RDTXWAMCSA-N 2 0 344.459 2.340 20 5 EEBDRP C[N@@H+]1CCCC[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598994828 469080353 /nfs/dbraw/zinc/08/03/53/469080353.db2.gz TYZKKXGZOAMMIC-CYBMUJFWSA-N 2 0 335.404 2.188 20 5 EEBDRP COc1c(O)ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000894477665 682919034 /nfs/dbraw/zinc/91/90/34/682919034.db2.gz VLABBPNORGCJBV-AWEZNQCLSA-N 2 0 349.431 2.473 20 5 EEBDRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246565752 1310345244 /nfs/dbraw/zinc/34/52/44/1310345244.db2.gz ZNZDEKFOAUVFHQ-SJLPKXTDSA-N 2 0 333.432 2.018 20 5 EEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000832546045 1314684031 /nfs/dbraw/zinc/68/40/31/1314684031.db2.gz WVSSYQUFXRSLBN-UHFFFAOYSA-N 2 0 338.427 2.240 20 5 EEBDRP [NH3+]CCc1cn(-c2ncnc3cccc([N+](=O)[O-])c32)c2cc[nH+]cc12 ZINC001160951557 1320330185 /nfs/dbraw/zinc/33/01/85/1320330185.db2.gz HGLJTUGFOOVUBM-UHFFFAOYSA-N 2 0 334.339 2.378 20 5 EEBDRP C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1C[NH3+] ZINC001576811221 1344064464 /nfs/dbraw/zinc/06/44/64/1344064464.db2.gz CRZJFWYKJBVTLA-WCQYABFASA-N 2 0 331.376 2.062 20 5 EEBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001356532442 1373201367 /nfs/dbraw/zinc/20/13/67/1373201367.db2.gz KGLPCBJICBUABA-SFHVURJKSA-N 2 0 342.399 2.282 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001168997334 803563380 /nfs/dbraw/zinc/56/33/80/803563380.db2.gz YTAAAUYILXFZKY-FUHWJXTLSA-N 2 0 332.448 2.329 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423515835 274231174 /nfs/dbraw/zinc/23/11/74/274231174.db2.gz VVVHMQYUQLMWNG-ZLPCBKJTSA-N 2 0 346.475 2.332 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431012351 314604830 /nfs/dbraw/zinc/60/48/30/314604830.db2.gz FUVCJOZCJGYXFH-UHFFFAOYSA-N 2 0 346.431 2.307 20 5 EEBDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000120897344 463052173 /nfs/dbraw/zinc/05/21/73/463052173.db2.gz NZQNIVADCCNIHS-GDBMZVCRSA-N 2 0 334.464 2.437 20 5 EEBDRP Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083848 463317730 /nfs/dbraw/zinc/31/77/30/463317730.db2.gz WYWXLKCEEVFBMP-CQSZACIVSA-N 2 0 343.431 2.499 20 5 EEBDRP COc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000295126111 464715623 /nfs/dbraw/zinc/71/56/23/464715623.db2.gz XXABNUMFVWJGPO-AGUYFDCRSA-N 2 0 335.404 2.327 20 5 EEBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420342851 467369585 /nfs/dbraw/zinc/36/95/85/467369585.db2.gz QBQLEDXBXFKMMN-LSDHHAIUSA-N 2 0 346.431 2.245 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420393722 467393108 /nfs/dbraw/zinc/39/31/08/467393108.db2.gz QTZDAONVGVRAPA-QAPCUYQASA-N 2 0 349.431 2.192 20 5 EEBDRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430622797 467451570 /nfs/dbraw/zinc/45/15/70/467451570.db2.gz LSMGQOAIMQQABK-CQSZACIVSA-N 2 0 334.420 2.163 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415033265 467471756 /nfs/dbraw/zinc/47/17/56/467471756.db2.gz GUWOALXRIWKCMH-XIRDDKMYSA-N 2 0 333.432 2.274 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000449191566 467622636 /nfs/dbraw/zinc/62/26/36/467622636.db2.gz PKKIMMZNFARVTM-MDASCCDHSA-N 2 0 347.459 2.493 20 5 EEBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000589195941 469211080 /nfs/dbraw/zinc/21/10/80/469211080.db2.gz PLQSEGZQDNWVOD-UHFFFAOYSA-N 2 0 328.844 2.173 20 5 EEBDRP Cc1nn(C[NH+]2CCC(C[NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000761289838 577681177 /nfs/dbraw/zinc/68/11/77/577681177.db2.gz CKXBQWDSXATLDG-UHFFFAOYSA-N 2 0 331.420 2.484 20 5 EEBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873042761 1198482540 /nfs/dbraw/zinc/48/25/40/1198482540.db2.gz IWAQPXAKJYUZSK-HNNXBMFYSA-N 2 0 334.464 2.266 20 5 EEBDRP CC[C@@H]([NH3+])C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246310933 1310278316 /nfs/dbraw/zinc/27/83/16/1310278316.db2.gz ALQATYGHHXCFCI-SNVBAGLBSA-N 2 0 328.363 2.169 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163126353 1321043675 /nfs/dbraw/zinc/04/36/75/1321043675.db2.gz RCANIYMJTRIYIW-UHFFFAOYSA-N 2 0 330.392 2.421 20 5 EEBDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC001131837060 783336891 /nfs/dbraw/zinc/33/68/91/783336891.db2.gz MXSLDHIQKPHHGH-UHFFFAOYSA-N 2 0 348.447 2.065 20 5 EEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001173230915 797311060 /nfs/dbraw/zinc/31/10/60/797311060.db2.gz WFHLEJRZZHUNRD-AWEZNQCLSA-N 2 0 333.432 2.226 20 5 EEBDRP COc1cccc(C2([NH3+])CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168999807 803565364 /nfs/dbraw/zinc/56/53/64/803565364.db2.gz VZJSWPUAZMUDGN-HOCLYGCPSA-N 2 0 333.432 2.390 20 5 EEBDRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357083335 163619540 /nfs/dbraw/zinc/61/95/40/163619540.db2.gz OYSGFBLGMPHVMQ-HNNXBMFYSA-N 2 0 346.431 2.245 20 5 EEBDRP Cn1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414936903 313112767 /nfs/dbraw/zinc/11/27/67/313112767.db2.gz ZNILCBLSWDOAQM-LSDHHAIUSA-N 2 0 329.404 2.355 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269994754 464152378 /nfs/dbraw/zinc/15/23/78/464152378.db2.gz HICKTQCSYTUHNN-NVXWUHKLSA-N 2 0 347.459 2.352 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423466813 466753640 /nfs/dbraw/zinc/75/36/40/466753640.db2.gz TYFHSAZIHJGPSA-MGPQQGTHSA-N 2 0 334.420 2.419 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423479104 466754449 /nfs/dbraw/zinc/75/44/49/466754449.db2.gz LSQZOOYKJWZRGN-UONOGXRCSA-N 2 0 334.420 2.434 20 5 EEBDRP CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@@H](C[NH3+])C1 ZINC000514725529 467951141 /nfs/dbraw/zinc/95/11/41/467951141.db2.gz AETHKGLYEKCLRG-HNNXBMFYSA-N 2 0 346.456 2.398 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000593733409 469115107 /nfs/dbraw/zinc/11/51/07/469115107.db2.gz MNOLDLDJQLZTAF-ZFWWWQNUSA-N 2 0 337.420 2.432 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931440856 1207381862 /nfs/dbraw/zinc/38/18/62/1207381862.db2.gz NDEHFDCBVUYWOZ-CABCVRRESA-N 2 0 346.431 2.115 20 5 EEBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1[NH3+] ZINC000843376766 1315903769 /nfs/dbraw/zinc/90/37/69/1315903769.db2.gz DJWNIKAXVUGQHP-FZMZJTMJSA-N 2 0 338.383 2.122 20 5 EEBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001159789325 1319992313 /nfs/dbraw/zinc/99/23/13/1319992313.db2.gz SJMHLBBGBGOEPG-ZDUSSCGKSA-N 2 0 336.783 2.141 20 5 EEBDRP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC001753059814 1406651540 /nfs/dbraw/zinc/65/15/40/1406651540.db2.gz WHTAEOMZLLOSGI-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001173226412 797310727 /nfs/dbraw/zinc/31/07/27/797310727.db2.gz JXDZXEFQXSIKEX-MRXNPFEDSA-N 2 0 346.475 2.238 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001168992973 803560810 /nfs/dbraw/zinc/56/08/10/803560810.db2.gz LXBOWUBDUSXMRV-SJORKVTESA-N 2 0 332.448 2.329 20 5 EEBDRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000447593700 242293063 /nfs/dbraw/zinc/29/30/63/242293063.db2.gz UMSDQPJAIRBBQY-NVXWUHKLSA-N 2 0 335.448 2.474 20 5 EEBDRP COCC[NH+]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000272857857 256243908 /nfs/dbraw/zinc/24/39/08/256243908.db2.gz PYKCLRBALZWGHC-UHFFFAOYSA-N 2 0 330.388 2.220 20 5 EEBDRP CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H](C[NH3+])C1CC1 ZINC000359998880 164212075 /nfs/dbraw/zinc/21/20/75/164212075.db2.gz FOXVMLBSUOSSDM-OAHLLOKOSA-N 2 0 330.388 2.461 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114199495 462632352 /nfs/dbraw/zinc/63/23/52/462632352.db2.gz SLMRBKZQEWRKPP-CQSZACIVSA-N 2 0 334.420 2.115 20 5 EEBDRP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000602558870 469360390 /nfs/dbraw/zinc/36/03/90/469360390.db2.gz FXMFHPYBZIDWHY-ZFWWWQNUSA-N 2 0 333.436 2.031 20 5 EEBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000853131405 1292292393 /nfs/dbraw/zinc/29/23/93/1292292393.db2.gz GZMJPXGYHUGJPQ-SFHVURJKSA-N 2 0 333.432 2.340 20 5 EEBDRP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001229679254 1302914214 /nfs/dbraw/zinc/91/42/14/1302914214.db2.gz VIEZPMKAOURAPN-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246983356 1310488884 /nfs/dbraw/zinc/48/88/84/1310488884.db2.gz FOJMJBILKXDHLL-NVXWUHKLSA-N 2 0 334.464 2.141 20 5 EEBDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001203004614 1314813755 /nfs/dbraw/zinc/81/37/55/1314813755.db2.gz DHKCOUSXOZHHQW-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[N@H+](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000843353996 1315898273 /nfs/dbraw/zinc/89/82/73/1315898273.db2.gz PRBPJUNIUGERIY-UHFFFAOYSA-N 2 0 340.811 2.388 20 5 EEBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC001209934138 1325104237 /nfs/dbraw/zinc/10/42/37/1325104237.db2.gz JPINQZNSOJHCAL-UHFFFAOYSA-N 2 0 328.376 2.067 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)C1 ZINC001169008055 803569670 /nfs/dbraw/zinc/56/96/70/803569670.db2.gz RHJKGEZUYQODCC-MSOLQXFVSA-N 2 0 339.480 2.256 20 5 EEBDRP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236822479 242371163 /nfs/dbraw/zinc/37/11/63/242371163.db2.gz NVHGZNMDXWEVER-AWEZNQCLSA-N 2 0 343.431 2.427 20 5 EEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000423427618 285169448 /nfs/dbraw/zinc/16/94/48/285169448.db2.gz GAEPFMWZSFTTEP-JJXSEGSLSA-N 2 0 333.436 2.253 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218379 279247181 /nfs/dbraw/zinc/24/71/81/279247181.db2.gz RXHNJNZNUSFSMK-RDBSUJKOSA-N 2 0 334.420 2.290 20 5 EEBDRP Cc1cc(N2CC[NH+](CC(C)(C)O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302172063 466110191 /nfs/dbraw/zinc/11/01/91/466110191.db2.gz MHBXPCMEGBMPNW-UHFFFAOYSA-N 2 0 344.415 2.344 20 5 EEBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594490847 468608174 /nfs/dbraw/zinc/60/81/74/468608174.db2.gz SHEWWGJHVHBWRC-INIZCTEOSA-N 2 0 332.448 2.198 20 5 EEBDRP [NH3+]C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600728247 468637972 /nfs/dbraw/zinc/63/79/72/468637972.db2.gz SQJPCFVERBGXPT-BXUZGUMPSA-N 2 0 347.337 2.433 20 5 EEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602808942 469089187 /nfs/dbraw/zinc/08/91/87/469089187.db2.gz FYRTWWZJZLSRMB-DZGCQCFKSA-N 2 0 335.452 2.342 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593736030 469116890 /nfs/dbraw/zinc/11/68/90/469116890.db2.gz FENNIPTUIIUYMK-LZLYRXPVSA-N 2 0 333.432 2.356 20 5 EEBDRP CC(C)[NH+]1CCN(C(=O)c2ccc(O[C@H](C)C[N+](C)(C)C)cc2)CC1 ZINC001234903668 1305048515 /nfs/dbraw/zinc/04/85/15/1305048515.db2.gz KUMSBROVYGQCNK-QGZVFWFLSA-N 2 0 348.511 2.326 20 5 EEBDRP C[NH+]1C(C)(C)CC(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1(C)C ZINC001159396067 1319780229 /nfs/dbraw/zinc/78/02/29/1319780229.db2.gz RKJJSXCOJNTOPE-UHFFFAOYSA-N 2 0 348.451 2.135 20 5 EEBDRP CSC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000819320969 785525625 /nfs/dbraw/zinc/52/56/25/785525625.db2.gz IWULYFDFAOVPQE-HNNXBMFYSA-N 2 0 339.461 2.045 20 5 EEBDRP C[N@H+](CC1CC[NH+](C)CC1)Cn1cnc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000103461989 804213535 /nfs/dbraw/zinc/21/35/35/804213535.db2.gz KQSIBRUDMVBCEE-UHFFFAOYSA-N 2 0 344.419 2.084 20 5 EEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422633830 240166692 /nfs/dbraw/zinc/16/66/92/240166692.db2.gz ISKUZUNBXZEYCB-MGPQQGTHSA-N 2 0 334.420 2.229 20 5 EEBDRP C[NH2+]CCC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000346643338 161387976 /nfs/dbraw/zinc/38/79/76/161387976.db2.gz CUKQBCOTAFPOCW-UHFFFAOYSA-N 2 0 337.420 2.434 20 5 EEBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293748286 293285840 /nfs/dbraw/zinc/28/58/40/293285840.db2.gz NZGFRRQBDCYQFS-GJZGRUSLSA-N 2 0 349.479 2.101 20 5 EEBDRP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430958823 314599855 /nfs/dbraw/zinc/59/98/55/314599855.db2.gz UOBUXOZMLRTBLQ-CHWSQXEVSA-N 2 0 334.420 2.289 20 5 EEBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185878746 463897051 /nfs/dbraw/zinc/89/70/51/463897051.db2.gz FCTOCERBXDDLOQ-ZDUSSCGKSA-N 2 0 340.855 2.364 20 5 EEBDRP C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000192832471 465007322 /nfs/dbraw/zinc/00/73/22/465007322.db2.gz LYBLEZMATROGFF-RDTXWAMCSA-N 2 0 332.448 2.198 20 5 EEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376153 467384679 /nfs/dbraw/zinc/38/46/79/467384679.db2.gz JQGKKHTWIRWRKD-JSGCOSHPSA-N 2 0 330.392 2.043 20 5 EEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(COC)CC[NH2+]CC1 ZINC000414983637 467460574 /nfs/dbraw/zinc/46/05/74/467460574.db2.gz ZIZBGJAJGHYNLT-UHFFFAOYSA-N 2 0 337.420 2.099 20 5 EEBDRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415100450 467489292 /nfs/dbraw/zinc/48/92/92/467489292.db2.gz AIYKZQLBINJBHW-CRAIPNDOSA-N 2 0 349.431 2.322 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000593733408 469115019 /nfs/dbraw/zinc/11/50/19/469115019.db2.gz MNOLDLDJQLZTAF-UKRRQHHQSA-N 2 0 337.420 2.432 20 5 EEBDRP C[NH+](C)CC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611254591 469210412 /nfs/dbraw/zinc/21/04/12/469210412.db2.gz WCVPNASAGOZWMK-UHFFFAOYSA-N 2 0 335.404 2.140 20 5 EEBDRP Cc1cc(N2CC[NH+](C(C)(C)CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611930412 469346908 /nfs/dbraw/zinc/34/69/08/469346908.db2.gz SVCUVUFZOMMIMT-UHFFFAOYSA-N 2 0 344.415 2.344 20 5 EEBDRP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878747165 1200652243 /nfs/dbraw/zinc/65/22/43/1200652243.db2.gz JUTSJWNGNPOJKJ-SFHVURJKSA-N 2 0 342.399 2.236 20 5 EEBDRP COc1cc(N2CCC([N@@H+]3CCC[C@H]([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001246539918 1310335685 /nfs/dbraw/zinc/33/56/85/1310335685.db2.gz DPMGZIVEFUJZAF-AWEZNQCLSA-N 2 0 348.447 2.385 20 5 EEBDRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587108 1318134861 /nfs/dbraw/zinc/13/48/61/1318134861.db2.gz VNAWAYSWTHPQMW-ZOBUZTSGSA-N 2 0 331.416 2.033 20 5 EEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)CC2 ZINC001172900857 797129926 /nfs/dbraw/zinc/12/99/26/797129926.db2.gz GVPFYOFKWCOQPS-SFHVURJKSA-N 2 0 347.459 2.136 20 5 EEBDRP [NH3+][C@H]1CC[C@H]([N@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CCOCC2)CC1 ZINC001168999927 803565219 /nfs/dbraw/zinc/56/52/19/803565219.db2.gz WHQQJTWBGDUREN-JKQORVJESA-N 2 0 325.453 2.183 20 5 EEBDRP COc1ccc(OCC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422635674 240168446 /nfs/dbraw/zinc/16/84/46/240168446.db2.gz LWYVJIQLMXPRBX-MJBXVCDLSA-N 2 0 337.420 2.287 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000342103374 161039600 /nfs/dbraw/zinc/03/96/00/161039600.db2.gz MSXQSEZBRGCSEL-SOUVJXGZSA-N 2 0 346.431 2.291 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344313741 161216598 /nfs/dbraw/zinc/21/65/98/161216598.db2.gz ZOURRWBTFAPKDE-CYBMUJFWSA-N 2 0 332.404 2.163 20 5 EEBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCN3CC[NH2+]CC3)o2)cc1 ZINC000414786727 313088639 /nfs/dbraw/zinc/08/86/39/313088639.db2.gz XTYFNOKRMYBNHP-UHFFFAOYSA-N 2 0 344.415 2.240 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCCN3CC[NH2+]CC3)o2)c1 ZINC000414786200 313088893 /nfs/dbraw/zinc/08/88/93/313088893.db2.gz XBHGRJNPVKIJCH-UHFFFAOYSA-N 2 0 344.415 2.240 20 5 EEBDRP Cc1c(NC(=O)CC[NH+]2CCC(CC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000573689022 319957607 /nfs/dbraw/zinc/95/76/07/319957607.db2.gz JZHQWAHCTQTEIM-UHFFFAOYSA-N 2 0 334.420 2.293 20 5 EEBDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000351865475 465406009 /nfs/dbraw/zinc/40/60/09/465406009.db2.gz NLCOYJUXRQWREX-OCCSQVGLSA-N 2 0 330.388 2.461 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591281569 468437742 /nfs/dbraw/zinc/43/77/42/468437742.db2.gz AARNNIOAEUDWDZ-WFASDCNBSA-N 2 0 332.404 2.044 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420380049 467386219 /nfs/dbraw/zinc/38/62/19/467386219.db2.gz BPRLSMKXPKAZQF-CRAIPNDOSA-N 2 0 349.431 2.322 20 5 EEBDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420388152 467390245 /nfs/dbraw/zinc/39/02/45/467390245.db2.gz WWWDVEHQVBSLDZ-QZTJIDSGSA-N 2 0 349.431 2.192 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000435621116 467481855 /nfs/dbraw/zinc/48/18/55/467481855.db2.gz IWQCTOZFKNBCEK-AWEZNQCLSA-N 2 0 334.420 2.306 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000593736126 469116574 /nfs/dbraw/zinc/11/65/74/469116574.db2.gz GSZUQADLRZZGFG-OGHNNQOOSA-N 2 0 337.395 2.452 20 5 EEBDRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892544827 681702949 /nfs/dbraw/zinc/70/29/49/681702949.db2.gz IECHIXPIENTYGU-UHFFFAOYSA-N 2 0 340.855 2.364 20 5 EEBDRP Cn1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904404690 694385281 /nfs/dbraw/zinc/38/52/81/694385281.db2.gz CRYCJFFUHIYOJU-CYBMUJFWSA-N 2 0 329.404 2.166 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1F ZINC001246196990 1310258290 /nfs/dbraw/zinc/25/82/90/1310258290.db2.gz JEVNTCXHLZDBIB-RYUDHWBXSA-N 2 0 325.384 2.263 20 5 EEBDRP COC1CC[NH+](C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169046757 803592662 /nfs/dbraw/zinc/59/26/62/803592662.db2.gz MOPVAMNVRCWTPL-HOCLYGCPSA-N 2 0 325.453 2.007 20 5 EEBDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000423072515 240351898 /nfs/dbraw/zinc/35/18/98/240351898.db2.gz JNCWXNKWQNZGJV-CQSZACIVSA-N 2 0 349.431 2.314 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420383979 533218249 /nfs/dbraw/zinc/21/82/49/533218249.db2.gz QZLMPTPTOCAHTA-FUHWJXTLSA-N 2 0 349.431 2.322 20 5 EEBDRP CCOc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271162345 256214768 /nfs/dbraw/zinc/21/47/68/256214768.db2.gz SHZFMLFSZGXQQJ-CYBMUJFWSA-N 2 0 337.420 2.101 20 5 EEBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369414955 166256642 /nfs/dbraw/zinc/25/66/42/166256642.db2.gz YQGMCRYSAXSITK-QGZVFWFLSA-N 2 0 332.448 2.195 20 5 EEBDRP Cn1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414903609 313111254 /nfs/dbraw/zinc/11/12/54/313111254.db2.gz KEEBPPNBJAPWDZ-OAHLLOKOSA-N 2 0 329.404 2.227 20 5 EEBDRP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000283919561 464041798 /nfs/dbraw/zinc/04/17/98/464041798.db2.gz DOYMWDNHKIYORY-KDOFPFPSSA-N 2 0 349.479 2.100 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000357104458 465775688 /nfs/dbraw/zinc/77/56/88/465775688.db2.gz MEBLHSGXYPBBAC-GJZGRUSLSA-N 2 0 342.399 2.334 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302608 467025416 /nfs/dbraw/zinc/02/54/16/467025416.db2.gz ZZQPQBDAMRAORI-CQSZACIVSA-N 2 0 346.431 2.306 20 5 EEBDRP Cc1c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000420327114 467358553 /nfs/dbraw/zinc/35/85/53/467358553.db2.gz DAPYMCARGKHDGC-KFWWJZLASA-N 2 0 346.431 2.162 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343727 467370635 /nfs/dbraw/zinc/37/06/35/467370635.db2.gz RCHZBNUWXZKYCX-HUUCEWRRSA-N 2 0 346.431 2.163 20 5 EEBDRP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000431041073 467490227 /nfs/dbraw/zinc/49/02/27/467490227.db2.gz ZUDOCJHXUNFVLT-CQSZACIVSA-N 2 0 346.431 2.306 20 5 EEBDRP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000415126290 467495840 /nfs/dbraw/zinc/49/58/40/467495840.db2.gz LXYAQPYPQCOVSY-DZGCQCFKSA-N 2 0 343.431 2.412 20 5 EEBDRP Cn1ccnc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000559542092 468744452 /nfs/dbraw/zinc/74/44/52/468744452.db2.gz OATZGLAJAWMQTF-CYBMUJFWSA-N 2 0 343.387 2.146 20 5 EEBDRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593316066 468936434 /nfs/dbraw/zinc/93/64/34/468936434.db2.gz QDRKHXIFKZCBJJ-DAYGRLMNSA-N 2 0 349.431 2.322 20 5 EEBDRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602722849 469032864 /nfs/dbraw/zinc/03/28/64/469032864.db2.gz IFWCMYWPWZTLBV-OAHLLOKOSA-N 2 0 347.463 2.280 20 5 EEBDRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602524261 469348701 /nfs/dbraw/zinc/34/87/01/469348701.db2.gz CZIAGGMWQDQSHQ-HNNXBMFYSA-N 2 0 347.463 2.280 20 5 EEBDRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)C1CCCC1 ZINC000872158645 1198064743 /nfs/dbraw/zinc/06/47/43/1198064743.db2.gz WRHHAEZXDJMKOY-GDBMZVCRSA-N 2 0 335.452 2.411 20 5 EEBDRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)C1CCCC1 ZINC000872158647 1198065095 /nfs/dbraw/zinc/06/50/95/1198065095.db2.gz WRHHAEZXDJMKOY-HOCLYGCPSA-N 2 0 335.452 2.411 20 5 EEBDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475972 1315712828 /nfs/dbraw/zinc/71/28/28/1315712828.db2.gz ZSMIUQUIALGOAF-CQSZACIVSA-N 2 0 338.383 2.040 20 5 EEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001335351622 1336365936 /nfs/dbraw/zinc/36/59/36/1336365936.db2.gz SLSSHGOHYLPKOS-SFHVURJKSA-N 2 0 342.399 2.282 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001335351621 1336366013 /nfs/dbraw/zinc/36/60/13/1336366013.db2.gz SLSSHGOHYLPKOS-GOSISDBHSA-N 2 0 342.399 2.282 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[C@@]21C[NH3+] ZINC001579642873 1344402177 /nfs/dbraw/zinc/40/21/77/1344402177.db2.gz ZWOXYVUKONXYQB-CXAGYDPISA-N 2 0 332.404 2.045 20 5 EEBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC001167878541 778957877 /nfs/dbraw/zinc/95/78/77/778957877.db2.gz MSMKIEXLHYFUOS-UHFFFAOYSA-N 2 0 335.286 2.169 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001169034917 803579080 /nfs/dbraw/zinc/57/90/80/803579080.db2.gz IPGCPYHSHPFUOL-AKHDSKFASA-N 2 0 329.444 2.496 20 5 EEBDRP C[N@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034906 803579466 /nfs/dbraw/zinc/57/94/66/803579466.db2.gz IMJYDRFKINIQLE-RHSMWYFYSA-N 2 0 325.453 2.007 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001169034919 803579484 /nfs/dbraw/zinc/57/94/84/803579484.db2.gz IPGCPYHSHPFUOL-XWSJACJDSA-N 2 0 329.444 2.496 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(F)cc1[N+](=O)[O-] ZINC000072312211 216147802 /nfs/dbraw/zinc/14/78/02/216147802.db2.gz YOGMKEXPQYPIJD-UHFFFAOYSA-N 2 0 326.416 2.444 20 5 EEBDRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000422786720 240225600 /nfs/dbraw/zinc/22/56/00/240225600.db2.gz LHRSTAOEWFRQFO-AWEZNQCLSA-N 2 0 349.431 2.048 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415033263 285161511 /nfs/dbraw/zinc/16/15/11/285161511.db2.gz GUWOALXRIWKCMH-USXIJHARSA-N 2 0 333.432 2.274 20 5 EEBDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000274871034 269067268 /nfs/dbraw/zinc/06/72/68/269067268.db2.gz XBAJPDIVSSPIGD-DOTOQJQBSA-N 2 0 343.431 2.292 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431038788 314608383 /nfs/dbraw/zinc/60/83/83/314608383.db2.gz PJJHFAJWXAFWJE-UHFFFAOYSA-N 2 0 346.431 2.307 20 5 EEBDRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000577743548 320273446 /nfs/dbraw/zinc/27/34/46/320273446.db2.gz SRIIXBFJHLQYHM-ZDUSSCGKSA-N 2 0 332.404 2.163 20 5 EEBDRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000120897824 463052391 /nfs/dbraw/zinc/05/23/91/463052391.db2.gz NZQNIVADCCNIHS-HOCLYGCPSA-N 2 0 334.464 2.437 20 5 EEBDRP Cc1c(NC(=O)CC[NH2+][C@@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000420368173 467381567 /nfs/dbraw/zinc/38/15/67/467381567.db2.gz UEEMJBQCWAOTGG-OAHLLOKOSA-N 2 0 334.420 2.210 20 5 EEBDRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435392779 467465730 /nfs/dbraw/zinc/46/57/30/467465730.db2.gz XQKBWARKJZMXCI-RRQGHBQHSA-N 2 0 341.415 2.164 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593736029 469116258 /nfs/dbraw/zinc/11/62/58/469116258.db2.gz FENNIPTUIIUYMK-JZXOWHBKSA-N 2 0 333.432 2.356 20 5 EEBDRP CN(Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000589188983 469210064 /nfs/dbraw/zinc/21/00/64/469210064.db2.gz YFYGEWHWIIUVKD-YIONKMFJSA-N 2 0 347.415 2.423 20 5 EEBDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877074076 1199858544 /nfs/dbraw/zinc/85/85/44/1199858544.db2.gz ZAUIKVMQFVTYTQ-CVEARBPZSA-N 2 0 347.463 2.421 20 5 EEBDRP C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC([NH3+])CC1 ZINC000843354540 1315899003 /nfs/dbraw/zinc/89/90/03/1315899003.db2.gz AZPBYKHTSFOJLD-UHFFFAOYSA-N 2 0 340.811 2.388 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799193 776912072 /nfs/dbraw/zinc/91/20/72/776912072.db2.gz NNIPALCIRXCAOY-HZSPNIEDSA-N 2 0 334.420 2.147 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000846225938 790094311 /nfs/dbraw/zinc/09/43/11/790094311.db2.gz ROKHKFKVZWXJQC-XGWLTEMNSA-N 2 0 337.395 2.452 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001168997336 803563352 /nfs/dbraw/zinc/56/33/52/803563352.db2.gz YTAAAUYILXFZKY-SJLPKXTDSA-N 2 0 332.448 2.329 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000344313742 161216666 /nfs/dbraw/zinc/21/66/66/161216666.db2.gz ZOURRWBTFAPKDE-ZDUSSCGKSA-N 2 0 332.404 2.163 20 5 EEBDRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000430966618 314600271 /nfs/dbraw/zinc/60/02/71/314600271.db2.gz PCJTUVXUKFWNEK-UHFFFAOYSA-N 2 0 334.420 2.163 20 5 EEBDRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000339440250 465275456 /nfs/dbraw/zinc/27/54/56/465275456.db2.gz PGGZFCZSEUWJKI-SFHVURJKSA-N 2 0 346.431 2.341 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000449130698 467619958 /nfs/dbraw/zinc/61/99/58/467619958.db2.gz HIEPSCGFYGQTEC-MRXNPFEDSA-N 2 0 348.491 2.389 20 5 EEBDRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593316067 468936663 /nfs/dbraw/zinc/93/66/63/468936663.db2.gz QDRKHXIFKZCBJJ-HDMKZQKVSA-N 2 0 349.431 2.322 20 5 EEBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000894377764 682715717 /nfs/dbraw/zinc/71/57/17/682715717.db2.gz GCKYYNIKVLFLEI-UHFFFAOYSA-N 2 0 340.855 2.365 20 5 EEBDRP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001230101406 1303059389 /nfs/dbraw/zinc/05/93/89/1303059389.db2.gz LSMZYQBDAJWKJA-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC001163129442 1321044912 /nfs/dbraw/zinc/04/49/12/1321044912.db2.gz YDGYFANTVNVQBD-UHFFFAOYSA-N 2 0 330.392 2.421 20 5 EEBDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001203203170 759436912 /nfs/dbraw/zinc/43/69/12/759436912.db2.gz HTIFXBUDIJHJGO-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001131834874 783333529 /nfs/dbraw/zinc/33/35/29/783333529.db2.gz IPQACNPLVBFBLW-UHFFFAOYSA-N 2 0 348.447 2.065 20 5 EEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001173226411 797310458 /nfs/dbraw/zinc/31/04/58/797310458.db2.gz JXDZXEFQXSIKEX-INIZCTEOSA-N 2 0 346.475 2.238 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617758 162213557 /nfs/dbraw/zinc/21/35/57/162213557.db2.gz IOTCTNOUXXWJNP-KBRIMQKVSA-N 2 0 337.395 2.417 20 5 EEBDRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430541169 314541802 /nfs/dbraw/zinc/54/18/02/314541802.db2.gz AWJHSZJFHBIQBY-UHFFFAOYSA-N 2 0 334.420 2.245 20 5 EEBDRP Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430958824 314599695 /nfs/dbraw/zinc/59/96/95/314599695.db2.gz UOBUXOZMLRTBLQ-OLZOCXBDSA-N 2 0 334.420 2.289 20 5 EEBDRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565547803 319193124 /nfs/dbraw/zinc/19/31/24/319193124.db2.gz CPUIBDOZFXVLID-GOSISDBHSA-N 2 0 346.475 2.445 20 5 EEBDRP Cc1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000051959971 463055181 /nfs/dbraw/zinc/05/51/81/463055181.db2.gz YMZIGJOODCCBOQ-UHFFFAOYSA-N 2 0 333.432 2.447 20 5 EEBDRP C[NH2+]CCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000262018499 463927228 /nfs/dbraw/zinc/92/72/28/463927228.db2.gz WVWBPQSFPSECOL-KRWDZBQOSA-N 2 0 346.431 2.022 20 5 EEBDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590971380 468387991 /nfs/dbraw/zinc/38/79/91/468387991.db2.gz JKKVYIBSSLFXBT-CYBMUJFWSA-N 2 0 335.404 2.188 20 5 EEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000349038027 465932393 /nfs/dbraw/zinc/93/23/93/465932393.db2.gz URJNDYGZEKBOTM-KRWDZBQOSA-N 2 0 334.464 2.443 20 5 EEBDRP Cc1cc(N2CC[NH+]([C@H]3CCOC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363665416 466545258 /nfs/dbraw/zinc/54/52/58/466545258.db2.gz NIZFWFFCAIRDLJ-HNNXBMFYSA-N 2 0 342.399 2.362 20 5 EEBDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000592428490 468696041 /nfs/dbraw/zinc/69/60/41/468696041.db2.gz RPFLJPFFEQGEMN-UHFFFAOYSA-N 2 0 344.415 2.192 20 5 EEBDRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592493552 468710926 /nfs/dbraw/zinc/71/09/26/468710926.db2.gz VFJVPSVDXPHQQX-GJZGRUSLSA-N 2 0 346.431 2.245 20 5 EEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602808944 469089955 /nfs/dbraw/zinc/08/99/55/469089955.db2.gz FYRTWWZJZLSRMB-HIFRSBDPSA-N 2 0 335.452 2.342 20 5 EEBDRP COc1cc(NCCN2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1C ZINC000596150753 469175333 /nfs/dbraw/zinc/17/53/33/469175333.db2.gz KMFMZMIMKLKAEZ-UHFFFAOYSA-N 2 0 336.436 2.350 20 5 EEBDRP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000892592611 681892795 /nfs/dbraw/zinc/89/27/95/681892795.db2.gz QXPWHSDGYGCCEE-UHFFFAOYSA-N 2 0 327.812 2.450 20 5 EEBDRP Cc1c(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873011234 1198473690 /nfs/dbraw/zinc/47/36/90/1198473690.db2.gz VTGGAKDGLBGYKG-GOSISDBHSA-N 2 0 334.464 2.265 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000873052243 1198485275 /nfs/dbraw/zinc/48/52/75/1198485275.db2.gz USXNBXAIBNVEOA-MRXNPFEDSA-N 2 0 346.475 2.470 20 5 EEBDRP [NH3+][C@@H](C(=O)Nc1cc2cccnc2c2ncccc12)C1CC[NH2+]CC1 ZINC001218980136 1297891805 /nfs/dbraw/zinc/89/18/05/1297891805.db2.gz UKIMSAKDVMVYJO-MRXNPFEDSA-N 2 0 335.411 2.048 20 5 EEBDRP C[N@H+]1C[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254479501 1318084490 /nfs/dbraw/zinc/08/44/90/1318084490.db2.gz BWTVHHQLHQQCLI-GASCZTMLSA-N 2 0 330.432 2.057 20 5 EEBDRP CN(C)/C=C/c1cc(-n2ncc3c2cccc3C[NH3+])ncc1[N+](=O)[O-] ZINC001158312695 1319168341 /nfs/dbraw/zinc/16/83/41/1319168341.db2.gz LAFPZGSOWLDDPV-VOTSOKGWSA-N 2 0 338.371 2.320 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1 ZINC000923305256 789346271 /nfs/dbraw/zinc/34/62/71/789346271.db2.gz WHTCEFMQURLWFF-MQVJKMGUSA-N 2 0 345.447 2.033 20 5 EEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173220855 797301861 /nfs/dbraw/zinc/30/18/61/797301861.db2.gz HGGGYFUWQXUQPJ-BPUTZDHNSA-N 2 0 333.432 2.497 20 5 EEBDRP C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374919024 167068788 /nfs/dbraw/zinc/06/87/88/167068788.db2.gz SXMNALPUTWNBLK-NVXWUHKLSA-N 2 0 343.431 2.292 20 5 EEBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332472 281261206 /nfs/dbraw/zinc/26/12/06/281261206.db2.gz CZUDLHPXJSXLDR-CABCVRRESA-N 2 0 346.431 2.163 20 5 EEBDRP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414697936 313065343 /nfs/dbraw/zinc/06/53/43/313065343.db2.gz WYKNMJOASUPCFA-INIZCTEOSA-N 2 0 348.447 2.003 20 5 EEBDRP C[NH+]1CCC(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000565828543 319218612 /nfs/dbraw/zinc/21/86/12/319218612.db2.gz VKDFPHGBMFGKKH-UHFFFAOYSA-N 2 0 334.420 2.245 20 5 EEBDRP Cc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326123503 465034498 /nfs/dbraw/zinc/03/44/98/465034498.db2.gz GIFAOLAWMWJOPQ-CQSZACIVSA-N 2 0 329.404 2.109 20 5 EEBDRP Cc1cc(N2CC[N@H+](CCO)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302557807 466153805 /nfs/dbraw/zinc/15/38/05/466153805.db2.gz SLWBANLEUZCVSD-UHFFFAOYSA-N 2 0 344.415 2.344 20 5 EEBDRP CC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000433145265 467298662 /nfs/dbraw/zinc/29/86/62/467298662.db2.gz GLLVRHMMQPGPKC-KRWDZBQOSA-N 2 0 348.447 2.365 20 5 EEBDRP Cn1cc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415043944 467474262 /nfs/dbraw/zinc/47/42/62/467474262.db2.gz SINVGCIMZGQYGY-IUODEOHRSA-N 2 0 329.404 2.212 20 5 EEBDRP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594495435 468609598 /nfs/dbraw/zinc/60/95/98/468609598.db2.gz XQDMVTFWXBYRQQ-KRWDZBQOSA-N 2 0 332.448 2.198 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000593314753 468936797 /nfs/dbraw/zinc/93/67/97/468936797.db2.gz HGILOFZQGXNKCO-VBQJREDUSA-N 2 0 337.395 2.452 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000616008143 469352769 /nfs/dbraw/zinc/35/27/69/469352769.db2.gz PDPGZPPDZVSSBB-FVQBIDKESA-N 2 0 333.436 2.349 20 5 EEBDRP Cc1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501834 577557017 /nfs/dbraw/zinc/55/70/17/577557017.db2.gz XCVAQDISXBFMIP-CZUORRHYSA-N 2 0 344.419 2.022 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000873260886 1198543861 /nfs/dbraw/zinc/54/38/61/1198543861.db2.gz JLNUAWDSGTWOJC-XFIYOXNOSA-N 2 0 333.436 2.395 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260164 1198543995 /nfs/dbraw/zinc/54/39/95/1198543995.db2.gz UIPWPKLQOCIFLV-UGQVUOCMSA-N 2 0 346.431 2.432 20 5 EEBDRP C[C@H]1C[NH2+]C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246096758 1310235445 /nfs/dbraw/zinc/23/54/45/1310235445.db2.gz FWSXRWKSTWOWGA-CABCVRRESA-N 2 0 332.448 2.399 20 5 EEBDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001203005212 1314815714 /nfs/dbraw/zinc/81/57/14/1314815714.db2.gz NOGABCILFUGGHM-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC001576317756 1343997599 /nfs/dbraw/zinc/99/75/99/1343997599.db2.gz ZLIAGRVKGRLLDA-RYUDHWBXSA-N 2 0 331.376 2.377 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001210444941 757945863 /nfs/dbraw/zinc/94/58/63/757945863.db2.gz QFZGWYZCZSTSCD-UHFFFAOYSA-N 2 0 343.387 2.494 20 5 EEBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001170897914 785236758 /nfs/dbraw/zinc/23/67/58/785236758.db2.gz QJQRQKHSTNPFBR-AWEZNQCLSA-N 2 0 331.376 2.004 20 5 EEBDRP [NH3+]CCCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173012178 797195785 /nfs/dbraw/zinc/19/57/85/797195785.db2.gz PMKRMVQUMDWZKX-UHFFFAOYSA-N 2 0 328.363 2.170 20 5 EEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422632969 240166887 /nfs/dbraw/zinc/16/68/87/240166887.db2.gz HMPXUCAXSLCKKI-MCIONIFRSA-N 2 0 334.420 2.229 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414904029 313111158 /nfs/dbraw/zinc/11/11/58/313111158.db2.gz JLORPAWHQAVAFO-GUYCJALGSA-N 2 0 334.420 2.291 20 5 EEBDRP C[NH+](C)C1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564561783 319091392 /nfs/dbraw/zinc/09/13/92/319091392.db2.gz DRYQOMCEIWOXJU-UHFFFAOYSA-N 2 0 334.420 2.386 20 5 EEBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577413557 320254631 /nfs/dbraw/zinc/25/46/31/320254631.db2.gz YHTUFEXLDVZARE-YJBOKZPZSA-N 2 0 346.475 2.445 20 5 EEBDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107369335 463568078 /nfs/dbraw/zinc/56/80/78/463568078.db2.gz NXGVHYGBCQCVSC-MAUKXSAKSA-N 2 0 332.448 2.368 20 5 EEBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423465464 466753788 /nfs/dbraw/zinc/75/37/88/466753788.db2.gz RZRQWZVHNGAHKO-XSABASRTSA-N 2 0 333.436 2.381 20 5 EEBDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591752158 468514536 /nfs/dbraw/zinc/51/45/36/468514536.db2.gz YWKBJZPZTJWMSJ-OAHLLOKOSA-N 2 0 348.447 2.491 20 5 EEBDRP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595904630 469073093 /nfs/dbraw/zinc/07/30/93/469073093.db2.gz JFWNBGFXHYEMLJ-UKRRQHHQSA-N 2 0 334.420 2.373 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000593736128 469116866 /nfs/dbraw/zinc/11/68/66/469116866.db2.gz GSZUQADLRZZGFG-XNJGSVPQSA-N 2 0 337.395 2.452 20 5 EEBDRP CC(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262121965 683893201 /nfs/dbraw/zinc/89/32/01/683893201.db2.gz MEKLMQWPAOFKKE-MRXNPFEDSA-N 2 0 332.448 2.198 20 5 EEBDRP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]CC[N+](=O)[O-])cc2)C[C@@H]1C ZINC000905204228 694568206 /nfs/dbraw/zinc/56/82/06/694568206.db2.gz ZAFOWJPUTNTMPB-HOTGVXAUSA-N 2 0 335.448 2.062 20 5 EEBDRP C[NH+](C)C1(CC(=O)NCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001131834729 783334045 /nfs/dbraw/zinc/33/40/45/783334045.db2.gz GEQBQJPGHOGXQP-UHFFFAOYSA-N 2 0 348.447 2.065 20 5 EEBDRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923344724 789421132 /nfs/dbraw/zinc/42/11/32/789421132.db2.gz HZOFTQHVTDBKKF-GOSISDBHSA-N 2 0 329.400 2.479 20 5 EEBDRP C[N@H+](CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])c(-c2ccncc2)n1 ZINC000172902210 791788800 /nfs/dbraw/zinc/78/88/00/791788800.db2.gz NAOKAHDRPDJLHN-UHFFFAOYSA-N 2 0 344.419 2.084 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001169034920 803579671 /nfs/dbraw/zinc/57/96/71/803579671.db2.gz IPGCPYHSHPFUOL-YRXWBPOGSA-N 2 0 329.444 2.496 20 5 EEBDRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000352507472 162164184 /nfs/dbraw/zinc/16/41/84/162164184.db2.gz CQIGPSSXFSQNNT-CYBMUJFWSA-N 2 0 348.403 2.096 20 5 EEBDRP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000414787170 313089086 /nfs/dbraw/zinc/08/90/86/313089086.db2.gz VEGYVFNINUGTMP-KGLIPLIRSA-N 2 0 349.431 2.434 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417317337 313483046 /nfs/dbraw/zinc/48/30/46/313483046.db2.gz WIUCWNPXFYSJGK-KRWDZBQOSA-N 2 0 333.432 2.409 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000114198733 462632329 /nfs/dbraw/zinc/63/23/29/462632329.db2.gz ZQCOPPYRWZNTCE-CQSZACIVSA-N 2 0 334.420 2.115 20 5 EEBDRP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108427971 463603464 /nfs/dbraw/zinc/60/34/64/463603464.db2.gz DYYUKQWZYYXPET-AWEZNQCLSA-N 2 0 343.431 2.427 20 5 EEBDRP COc1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])cc1OC ZINC000357054497 465729898 /nfs/dbraw/zinc/72/98/98/465729898.db2.gz QESNPHDYOLDYFC-CQSZACIVSA-N 2 0 349.431 2.434 20 5 EEBDRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430658300 467456858 /nfs/dbraw/zinc/45/68/58/467456858.db2.gz XECWILRKXIGHEO-CQSZACIVSA-N 2 0 334.420 2.163 20 5 EEBDRP Cn1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435377662 467463549 /nfs/dbraw/zinc/46/35/49/467463549.db2.gz FDTOKQLCWYNSAD-UHFFFAOYSA-N 2 0 331.420 2.412 20 5 EEBDRP Cc1c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000873052219 1198485617 /nfs/dbraw/zinc/48/56/17/1198485617.db2.gz SXNJGGXHSGAFSS-MRXNPFEDSA-N 2 0 332.448 2.161 20 5 EEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000853131137 1292292018 /nfs/dbraw/zinc/29/20/18/1292292018.db2.gz BDKRNZCUTWVSFM-SFHVURJKSA-N 2 0 333.432 2.340 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H]2CC[C@]21C[NH3+] ZINC001579642874 1344402203 /nfs/dbraw/zinc/40/22/03/1344402203.db2.gz ZWOXYVUKONXYQB-DYVFJYSZSA-N 2 0 332.404 2.045 20 5 EEBDRP COc1ccc(CC2([NH3+])CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997052 803562725 /nfs/dbraw/zinc/56/27/25/803562725.db2.gz BGVFFIJTDVRCGG-IAGOWNOFSA-N 2 0 347.459 2.476 20 5 EEBDRP CC1(C)C[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169142101 803634391 /nfs/dbraw/zinc/63/43/91/803634391.db2.gz FZTQORORDZJPKR-YVEFUNNKSA-N 2 0 348.451 2.027 20 5 EEBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375902073 167222883 /nfs/dbraw/zinc/22/28/83/167222883.db2.gz MCKIKVCSSHBDKQ-IBGZPJMESA-N 2 0 346.475 2.238 20 5 EEBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740358 293283930 /nfs/dbraw/zinc/28/39/30/293283930.db2.gz NNJNXSMVIWTETD-HIFRSBDPSA-N 2 0 336.436 2.065 20 5 EEBDRP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577745742 320273590 /nfs/dbraw/zinc/27/35/90/320273590.db2.gz SYHSHGVJQUCSGZ-KRWDZBQOSA-N 2 0 332.448 2.199 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423552498 466772695 /nfs/dbraw/zinc/77/26/95/466772695.db2.gz VCBOVQGMANQOHJ-HLPPOEQASA-N 2 0 346.431 2.290 20 5 EEBDRP CC(C)(NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000433137512 467297539 /nfs/dbraw/zinc/29/75/39/467297539.db2.gz UHGIZAMTMNFMFL-UHFFFAOYSA-N 2 0 348.447 2.149 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000449146909 467620830 /nfs/dbraw/zinc/62/08/30/467620830.db2.gz DPOKNURNHOYZBY-WBVHZDCISA-N 2 0 335.448 2.352 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000592437212 468697853 /nfs/dbraw/zinc/69/78/53/468697853.db2.gz CYFOTDULMSGWSB-KBPBESRZSA-N 2 0 347.415 2.188 20 5 EEBDRP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000602558864 469359931 /nfs/dbraw/zinc/35/99/31/469359931.db2.gz FXMFHPYBZIDWHY-HIFRSBDPSA-N 2 0 333.436 2.031 20 5 EEBDRP Cc1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501836 577557155 /nfs/dbraw/zinc/55/71/55/577557155.db2.gz XCVAQDISXBFMIP-XJKSGUPXSA-N 2 0 344.419 2.022 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(F)(C[NH3+])CC2)c1F ZINC001246618753 1310359236 /nfs/dbraw/zinc/35/92/36/1310359236.db2.gz KUNYEJSRXGUHOO-LLVKDONJSA-N 2 0 343.374 2.436 20 5 EEBDRP Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)n1 ZINC001157838179 1318898482 /nfs/dbraw/zinc/89/84/82/1318898482.db2.gz QTSPMTLMICUXFX-UHFFFAOYSA-N 2 0 347.463 2.070 20 5 EEBDRP [NH3+]CCc1cn(-c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c2ccc(O)cc12 ZINC001167985296 781375859 /nfs/dbraw/zinc/37/58/59/781375859.db2.gz DLNBPOCTMVCNID-UHFFFAOYSA-N 2 0 338.367 2.349 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000923359790 789451471 /nfs/dbraw/zinc/45/14/71/789451471.db2.gz VGBXOHDAVSHTIC-XYJFISCASA-N 2 0 333.432 2.340 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)C1 ZINC001168983444 803546632 /nfs/dbraw/zinc/54/66/32/803546632.db2.gz KFDQSLSVDSPWGP-QZTJIDSGSA-N 2 0 339.480 2.160 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000342103371 161039786 /nfs/dbraw/zinc/03/97/86/161039786.db2.gz MSXQSEZBRGCSEL-RRFJBIMHSA-N 2 0 346.431 2.291 20 5 EEBDRP [NH3+]C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414780886 313086564 /nfs/dbraw/zinc/08/65/64/313086564.db2.gz MCFQOWUAFCSWIU-WMHVBEDNSA-N 2 0 331.416 2.295 20 5 EEBDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420385255 313947344 /nfs/dbraw/zinc/94/73/44/313947344.db2.gz SQFTXYAIUODQSZ-MSOLQXFVSA-N 2 0 333.432 2.356 20 5 EEBDRP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000283919566 464041910 /nfs/dbraw/zinc/04/19/10/464041910.db2.gz DOYMWDNHKIYORY-KSSFIOAISA-N 2 0 349.479 2.100 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269994759 464151826 /nfs/dbraw/zinc/15/18/26/464151826.db2.gz HICKTQCSYTUHNN-WBVHZDCISA-N 2 0 347.459 2.352 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423511386 466762762 /nfs/dbraw/zinc/76/27/62/466762762.db2.gz QEKKUWZIQZVBIX-IVMMDQJWSA-N 2 0 329.404 2.135 20 5 EEBDRP Cn1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414839362 467437938 /nfs/dbraw/zinc/43/79/38/467437938.db2.gz WELPGTAVFDMEMC-ZDUSSCGKSA-N 2 0 329.404 2.085 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430551040 467438259 /nfs/dbraw/zinc/43/82/59/467438259.db2.gz PNNYZNDYDRUQJL-KBPBESRZSA-N 2 0 334.420 2.291 20 5 EEBDRP COc1cc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000415014383 467468443 /nfs/dbraw/zinc/46/84/43/467468443.db2.gz WZLVKTLOHNPMHF-UONOGXRCSA-N 2 0 335.404 2.090 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435612854 467480661 /nfs/dbraw/zinc/48/06/61/467480661.db2.gz ZOXFRUZMNYAOPA-AWEZNQCLSA-N 2 0 334.420 2.306 20 5 EEBDRP Cc1cc(NC[C@H]2CCC[N@@H+]2CCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450591462 467875665 /nfs/dbraw/zinc/87/56/65/467875665.db2.gz FYXUUFNBKNELGA-OAHLLOKOSA-N 2 0 344.415 2.132 20 5 EEBDRP O=C(CC[NH2+]CCC[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548826149 468143797 /nfs/dbraw/zinc/14/37/97/468143797.db2.gz ZTNPOQRSCXYQTP-UHFFFAOYSA-N 2 0 334.420 2.389 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593736031 469116386 /nfs/dbraw/zinc/11/63/86/469116386.db2.gz FENNIPTUIIUYMK-NUJGCVRESA-N 2 0 333.432 2.356 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000602516135 469346196 /nfs/dbraw/zinc/34/61/96/469346196.db2.gz IHQLSYIMUIXTDT-CVEARBPZSA-N 2 0 345.447 2.175 20 5 EEBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602539485 485643097 /nfs/dbraw/zinc/64/30/97/485643097.db2.gz GTCXYRJGIOHPHY-INIZCTEOSA-N 2 0 334.464 2.001 20 5 EEBDRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000183330728 529152602 /nfs/dbraw/zinc/15/26/02/529152602.db2.gz YOAKQRWELATFQE-SFHVURJKSA-N 2 0 332.448 2.115 20 5 EEBDRP C[NH+]1CCC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000126395403 682029535 /nfs/dbraw/zinc/02/95/35/682029535.db2.gz OZEBKNBNEUQSAP-UHFFFAOYSA-N 2 0 332.448 2.495 20 5 EEBDRP O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903752593 1241832084 /nfs/dbraw/zinc/83/20/84/1241832084.db2.gz ODPYEDKBMAZILD-QZTJIDSGSA-N 2 0 331.416 2.328 20 5 EEBDRP [NH3+]CCCC[NH2+]CCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246459552 1310316637 /nfs/dbraw/zinc/31/66/37/1310316637.db2.gz XEMLZQLCNNNBLF-QGZVFWFLSA-N 3 0 334.464 2.150 20 5 EEBDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843353055 1315897692 /nfs/dbraw/zinc/89/76/92/1315897692.db2.gz AMOVQDRLJPNBTM-NEPJUHHUSA-N 2 0 338.383 2.122 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254545353 1318116817 /nfs/dbraw/zinc/11/68/17/1318116817.db2.gz MEKUZYBPAWDSCZ-FVQBIDKESA-N 2 0 333.432 2.497 20 5 EEBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001254587989 1318134320 /nfs/dbraw/zinc/13/43/20/1318134320.db2.gz UIESHSVVXWHWMS-KZNAEPCWSA-N 2 0 345.443 2.295 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001336802055 1336597228 /nfs/dbraw/zinc/59/72/28/1336597228.db2.gz AOKOHMRFBMQASB-MAUKXSAKSA-N 2 0 333.432 2.340 20 5 EEBDRP CC(C)(C)[NH+]1CCC(NC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001576080058 1343963273 /nfs/dbraw/zinc/96/32/73/1343963273.db2.gz BHOHPJXRVDNSRV-SFHVURJKSA-N 2 0 348.447 2.148 20 5 EEBDRP CC(C)N1CCC[C@@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001357128132 1373209978 /nfs/dbraw/zinc/20/99/78/1373209978.db2.gz YLVFMWRFPKGEGZ-CQSZACIVSA-N 2 0 334.420 2.386 20 5 EEBDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039487 803582242 /nfs/dbraw/zinc/58/22/42/803582242.db2.gz QBBZJOWTJBZPCL-MSOLQXFVSA-N 2 0 342.528 2.417 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344905632 161255177 /nfs/dbraw/zinc/25/51/77/161255177.db2.gz PQCJMFPDZWIATP-RVDMUPIBSA-N 2 0 333.432 2.292 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430943411 314596124 /nfs/dbraw/zinc/59/61/24/314596124.db2.gz HZTRESKJKIKOFR-CYBMUJFWSA-N 2 0 334.420 2.291 20 5 EEBDRP CC(C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000563417311 319008927 /nfs/dbraw/zinc/00/89/27/319008927.db2.gz LMMSKYNRNNTDIS-PKOBYXMFSA-N 2 0 346.475 2.444 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000077450094 462985477 /nfs/dbraw/zinc/98/54/77/462985477.db2.gz MLBMEOMHYDRASK-UHFFFAOYSA-N 2 0 345.399 2.401 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591281568 468437188 /nfs/dbraw/zinc/43/71/88/468437188.db2.gz AARNNIOAEUDWDZ-SWLSCSKDSA-N 2 0 332.404 2.044 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591579387 468485987 /nfs/dbraw/zinc/48/59/87/468485987.db2.gz VFUFVBFYVGNRRA-WFASDCNBSA-N 2 0 332.404 2.044 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430571220 467442267 /nfs/dbraw/zinc/44/22/67/467442267.db2.gz HRFVABZFLOYBGS-UONOGXRCSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1c(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430958826 467482451 /nfs/dbraw/zinc/48/24/51/467482451.db2.gz UOBUXOZMLRTBLQ-STQMWFEESA-N 2 0 334.420 2.289 20 5 EEBDRP C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595905183 469075844 /nfs/dbraw/zinc/07/58/44/469075844.db2.gz QCHAVRPZMYXIFE-RHSMWYFYSA-N 2 0 348.447 2.397 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)CC2)cn1 ZINC000602509476 469343150 /nfs/dbraw/zinc/34/31/50/469343150.db2.gz HFRSMGUBIUDPRQ-AWEZNQCLSA-N 2 0 345.447 2.033 20 5 EEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000873260884 1198543576 /nfs/dbraw/zinc/54/35/76/1198543576.db2.gz JLNUAWDSGTWOJC-JKJDWNRSSA-N 2 0 333.436 2.395 20 5 EEBDRP [NH3+]CCc1cn(-c2cnc3ccc([N+](=O)[O-])cc3n2)c2cc[nH+]cc12 ZINC001160944419 1320325344 /nfs/dbraw/zinc/32/53/44/1320325344.db2.gz JQHSVKQKIUFMDV-UHFFFAOYSA-N 2 0 334.339 2.378 20 5 EEBDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091599 240360983 /nfs/dbraw/zinc/36/09/83/240360983.db2.gz XUGSRYDIZYEVCX-FZZIBODNSA-N 2 0 347.337 2.456 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000342103377 161039502 /nfs/dbraw/zinc/03/95/02/161039502.db2.gz MSXQSEZBRGCSEL-ZNMIVQPWSA-N 2 0 346.431 2.291 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000344791879 161246036 /nfs/dbraw/zinc/24/60/36/161246036.db2.gz LHOKOLREJUGFCG-YTBHAWNYSA-N 2 0 346.475 2.471 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000352477405 162149824 /nfs/dbraw/zinc/14/98/24/162149824.db2.gz LCJSGZWDXOQGSY-CQSZACIVSA-N 2 0 334.420 2.435 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352504778 162162927 /nfs/dbraw/zinc/16/29/27/162162927.db2.gz USLLNOQRBSZXSG-CQSZACIVSA-N 2 0 334.420 2.435 20 5 EEBDRP CN(CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)CC[NH+](C)C ZINC000288787465 275085501 /nfs/dbraw/zinc/08/55/01/275085501.db2.gz CDJFKYDPYZHOEF-UHFFFAOYSA-N 2 0 326.416 2.049 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271905044 464408395 /nfs/dbraw/zinc/40/83/95/464408395.db2.gz WJVRNOYFBNZDBR-CYBMUJFWSA-N 2 0 332.404 2.163 20 5 EEBDRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372989762 466655476 /nfs/dbraw/zinc/65/54/76/466655476.db2.gz KQQITWILMKMVFJ-HNNXBMFYSA-N 2 0 334.420 2.340 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000453106656 467460467 /nfs/dbraw/zinc/46/04/67/467460467.db2.gz ZCMOAZFMECBZQQ-INIZCTEOSA-N 2 0 334.464 2.143 20 5 EEBDRP Cc1c(NC(=O)CC[NH+]2CCC([C@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430955822 467482519 /nfs/dbraw/zinc/48/25/19/467482519.db2.gz JMCMCOBHCKDUCR-ZDUSSCGKSA-N 2 0 334.420 2.291 20 5 EEBDRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591726558 468511164 /nfs/dbraw/zinc/51/11/64/468511164.db2.gz MRTYLJKKDVPPAB-ZIAGYGMSSA-N 2 0 332.404 2.140 20 5 EEBDRP C[NH+](C)CCCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001228879945 1302502731 /nfs/dbraw/zinc/50/27/31/1302502731.db2.gz ZZHXOOPGLYDVSG-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[C@H]1COC[C@H]1[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308948869 1331609369 /nfs/dbraw/zinc/60/93/69/1331609369.db2.gz MWUISQPVFIJPLM-HNAYVOBHSA-N 2 0 347.459 2.474 20 5 EEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000923390862 789478584 /nfs/dbraw/zinc/47/85/84/789478584.db2.gz WMGMWSUXLCTPCG-AEFFLSMTSA-N 2 0 333.432 2.340 20 5 EEBDRP CC[N+](C)(C)Cc1ccccc1NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170277030 809875376 /nfs/dbraw/zinc/87/53/76/809875376.db2.gz KWNMNXLAWDRTPQ-GUDVDZBRSA-N 2 0 336.500 2.420 20 5 EEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464563 320028217 /nfs/dbraw/zinc/02/82/17/320028217.db2.gz MTBXKOIPVCJZET-RHSMWYFYSA-N 2 0 332.448 2.198 20 5 EEBDRP Cn1ccnc1[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423319221 466717264 /nfs/dbraw/zinc/71/72/64/466717264.db2.gz DFKXPZIPLJJCTP-INIZCTEOSA-N 2 0 343.431 2.397 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430927151 467476525 /nfs/dbraw/zinc/47/65/25/467476525.db2.gz PTOIEPAJFKRGJL-CYBMUJFWSA-N 2 0 334.420 2.291 20 5 EEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449080240 467617106 /nfs/dbraw/zinc/61/71/06/467617106.db2.gz UNEFGRRWUMAOOM-JKSUJKDBSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000449146806 467620932 /nfs/dbraw/zinc/62/09/32/467620932.db2.gz DPOKNURNHOYZBY-DOTOQJQBSA-N 2 0 335.448 2.352 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593735985 469116903 /nfs/dbraw/zinc/11/69/03/469116903.db2.gz CJLKDDBTWNDLHH-DAYGRLMNSA-N 2 0 349.431 2.192 20 5 EEBDRP COc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246205688 1310260768 /nfs/dbraw/zinc/26/07/68/1310260768.db2.gz RJZPZZGDZZIFBC-UKRRQHHQSA-N 2 0 348.447 2.432 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCC(C[NH3+])CC2)c1F ZINC001246540104 1310335292 /nfs/dbraw/zinc/33/52/92/1310335292.db2.gz VEOLYMDRJRYUSP-LLVKDONJSA-N 2 0 325.384 2.344 20 5 EEBDRP Cc1ncc([N+](=O)[O-])cc1Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC001249546001 1317113418 /nfs/dbraw/zinc/11/34/18/1317113418.db2.gz ZGXIXNHIRGULFQ-UHFFFAOYSA-N 2 0 328.376 2.189 20 5 EEBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC1)C[NH2+]CCO2 ZINC001575813235 1343892791 /nfs/dbraw/zinc/89/27/91/1343892791.db2.gz QGMHRCXZPJCVCM-UHFFFAOYSA-N 2 0 349.431 2.336 20 5 EEBDRP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC001576317751 1343997642 /nfs/dbraw/zinc/99/76/42/1343997642.db2.gz ZLIAGRVKGRLLDA-NEPJUHHUSA-N 2 0 331.376 2.377 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000923359784 789451280 /nfs/dbraw/zinc/45/12/80/789451280.db2.gz VGBXOHDAVSHTIC-JFIYKMOQSA-N 2 0 333.432 2.340 20 5 EEBDRP C[C@H](C[NH3+])C[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010488 797195988 /nfs/dbraw/zinc/19/59/88/797195988.db2.gz XESBEVWPSJNMMC-LLVKDONJSA-N 2 0 342.390 2.368 20 5 EEBDRP COc1cccc(CC2([NH3+])CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998233 803563984 /nfs/dbraw/zinc/56/39/84/803563984.db2.gz KEHDXVNTFUVWFT-IRXDYDNUSA-N 2 0 347.459 2.476 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423334015 240442670 /nfs/dbraw/zinc/44/26/70/240442670.db2.gz QFUQHVPFBMOWGO-ZDUSSCGKSA-N 2 0 334.420 2.291 20 5 EEBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375903642 167222631 /nfs/dbraw/zinc/22/26/31/167222631.db2.gz IMISSMUPNKPMHD-SFHVURJKSA-N 2 0 332.448 2.195 20 5 EEBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192842829 274219121 /nfs/dbraw/zinc/21/91/21/274219121.db2.gz NZJPTIXKVCSAMF-KSSFIOAISA-N 2 0 332.448 2.198 20 5 EEBDRP Cn1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261647553 463814921 /nfs/dbraw/zinc/81/49/21/463814921.db2.gz GYMJBPYUNQKICU-QGZVFWFLSA-N 2 0 329.404 2.166 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420380052 467386556 /nfs/dbraw/zinc/38/65/56/467386556.db2.gz BPRLSMKXPKAZQF-YJBOKZPZSA-N 2 0 349.431 2.322 20 5 EEBDRP Cc1c(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430958825 467481916 /nfs/dbraw/zinc/48/19/16/467481916.db2.gz UOBUXOZMLRTBLQ-QWHCGFSZSA-N 2 0 334.420 2.289 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000593733406 469114237 /nfs/dbraw/zinc/11/42/37/469114237.db2.gz MNOLDLDJQLZTAF-HIFRSBDPSA-N 2 0 337.420 2.432 20 5 EEBDRP [NH3+]CCCC[NH2+]CCCNc1nc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001162290274 1320809407 /nfs/dbraw/zinc/80/94/07/1320809407.db2.gz LXBYGXYBVUJFKM-UHFFFAOYSA-N 2 0 336.223 2.427 20 5 EEBDRP COc1cc(N2CCC([NH2+]C[C@H]3CC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256086063 1318642671 /nfs/dbraw/zinc/64/26/71/1318642671.db2.gz VAHGRWNALXHMIF-CQSZACIVSA-N 2 0 348.447 2.114 20 5 EEBDRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c1 ZINC001162910176 1320986565 /nfs/dbraw/zinc/98/65/65/1320986565.db2.gz QSGPURMLIRFJCC-JTQLQIEISA-N 2 0 338.371 2.035 20 5 EEBDRP [NH3+][C@H]1CC[C@H]([N@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CCOCC2)CC1 ZINC001168999928 803565064 /nfs/dbraw/zinc/56/50/64/803565064.db2.gz WHQQJTWBGDUREN-KCYZZUKISA-N 2 0 325.453 2.183 20 5 EEBDRP Cn1cc(C[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415043943 238792812 /nfs/dbraw/zinc/79/28/12/238792812.db2.gz SINVGCIMZGQYGY-DOMZBBRYSA-N 2 0 329.404 2.212 20 5 EEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464562 320028268 /nfs/dbraw/zinc/02/82/68/320028268.db2.gz MTBXKOIPVCJZET-PBHICJAKSA-N 2 0 332.448 2.198 20 5 EEBDRP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000411724126 466887307 /nfs/dbraw/zinc/88/73/07/466887307.db2.gz YHIWNYKTUSTWPG-SJPCQFCGSA-N 2 0 346.431 2.480 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420369813 467381301 /nfs/dbraw/zinc/38/13/01/467381301.db2.gz ONPGVSATWXDJMH-XTQGRXLLSA-N 2 0 334.420 2.208 20 5 EEBDRP C[NH2+]C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430660711 467456601 /nfs/dbraw/zinc/45/66/01/467456601.db2.gz DUXLINASPDLVDH-CQSZACIVSA-N 2 0 334.420 2.163 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415033260 467471441 /nfs/dbraw/zinc/47/14/41/467471441.db2.gz GUWOALXRIWKCMH-UAGQMJEPSA-N 2 0 333.432 2.274 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000449191565 467622708 /nfs/dbraw/zinc/62/27/08/467622708.db2.gz PKKIMMZNFARVTM-CCKFTAQKSA-N 2 0 347.459 2.493 20 5 EEBDRP [NH3+]Cc1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000592437198 468698002 /nfs/dbraw/zinc/69/80/02/468698002.db2.gz CHVDENLAODPCCD-UHFFFAOYSA-N 2 0 329.356 2.115 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000592433569 468698028 /nfs/dbraw/zinc/69/80/28/468698028.db2.gz CGKOPCAKGZXMBQ-CQSZACIVSA-N 2 0 347.415 2.188 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000593324698 468939132 /nfs/dbraw/zinc/93/91/32/468939132.db2.gz YOPZNPXRQPNWHJ-CYBMUJFWSA-N 2 0 334.420 2.291 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736235 469117770 /nfs/dbraw/zinc/11/77/70/469117770.db2.gz KGUNEFRPRQZLGV-YEWWUXTCSA-N 2 0 349.431 2.322 20 5 EEBDRP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[NH+]1CCCC1 ZINC000602519078 469347551 /nfs/dbraw/zinc/34/75/51/469347551.db2.gz VFNOEVDJVPUQFV-OAHLLOKOSA-N 2 0 347.463 2.280 20 5 EEBDRP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000602558861 469360347 /nfs/dbraw/zinc/36/03/47/469360347.db2.gz FXMFHPYBZIDWHY-DZGCQCFKSA-N 2 0 333.436 2.031 20 5 EEBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894458025 682904206 /nfs/dbraw/zinc/90/42/06/682904206.db2.gz LIAOFPUYWYSCRV-UHFFFAOYSA-N 2 0 328.844 2.173 20 5 EEBDRP O=[N+]([O-])c1ccc2c(c1)CN(C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001336277307 1336511473 /nfs/dbraw/zinc/51/14/73/1336511473.db2.gz PAKNQFJDSLGFBG-QGZVFWFLSA-N 2 0 331.416 2.112 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342100381 161039220 /nfs/dbraw/zinc/03/92/20/161039220.db2.gz KCOKEZBLBOYXOH-BPUTZDHNSA-N 2 0 346.431 2.291 20 5 EEBDRP CN(Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376800469 167396102 /nfs/dbraw/zinc/39/61/02/167396102.db2.gz ZLLOFGCCAAISSD-GOSISDBHSA-N 2 0 332.448 2.195 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424290603 467023164 /nfs/dbraw/zinc/02/31/64/467023164.db2.gz MYCONCTXWRJITR-CQSZACIVSA-N 2 0 349.431 2.446 20 5 EEBDRP COc1cc(CN2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931568 467477957 /nfs/dbraw/zinc/47/79/57/467477957.db2.gz XDMDSGIGJKKJNJ-GXSJLCMTSA-N 2 0 345.346 2.374 20 5 EEBDRP CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435630226 467483209 /nfs/dbraw/zinc/48/32/09/467483209.db2.gz WNNOAEUCZDKGOP-AWEZNQCLSA-N 2 0 337.420 2.446 20 5 EEBDRP COc1c(O)ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496803 682930905 /nfs/dbraw/zinc/93/09/05/682930905.db2.gz QWFRLEIRIZLJPN-GXTWGEPZSA-N 2 0 335.404 2.225 20 5 EEBDRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893361116 684898053 /nfs/dbraw/zinc/89/80/53/684898053.db2.gz UMKHAISPXBUCSY-UHFFFAOYSA-N 2 0 340.855 2.364 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903872789 1242260678 /nfs/dbraw/zinc/26/06/78/1242260678.db2.gz IJWJEDVBDRAKKT-MQVJKMGUSA-N 2 0 330.432 2.247 20 5 EEBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000784534395 1304496270 /nfs/dbraw/zinc/49/62/70/1304496270.db2.gz NWPITEXLGPFRND-UHFFFAOYSA-N 2 0 340.855 2.365 20 5 EEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246982330 1310488748 /nfs/dbraw/zinc/48/87/48/1310488748.db2.gz AWVVHVLJEGZIFH-YJBOKZPZSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246982313 1310488943 /nfs/dbraw/zinc/48/89/43/1310488943.db2.gz AWVVHVLJEGZIFH-MAUKXSAKSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254545352 1318117538 /nfs/dbraw/zinc/11/75/38/1318117538.db2.gz MEKUZYBPAWDSCZ-BPUTZDHNSA-N 2 0 333.432 2.497 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001254549308 1318119370 /nfs/dbraw/zinc/11/93/70/1318119370.db2.gz RCSKTXGWRCMGKL-CQSZACIVSA-N 2 0 333.432 2.226 20 5 EEBDRP [NH3+]C[C@@H]1CN(C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000923401457 789502479 /nfs/dbraw/zinc/50/24/79/789502479.db2.gz NGLKDDCPNVBXPR-XBFCOCLRSA-N 2 0 347.337 2.087 20 5 EEBDRP [NH3+]CCCCN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905707 797132037 /nfs/dbraw/zinc/13/20/37/797132037.db2.gz JUIXFNMMOFLLGY-GOSISDBHSA-N 2 0 346.475 2.199 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)C1 ZINC001169008058 803569334 /nfs/dbraw/zinc/56/93/34/803569334.db2.gz RHJKGEZUYQODCC-ZWKOTPCHSA-N 2 0 339.480 2.256 20 5 EEBDRP COCC[N@H+](C)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268798820 252251053 /nfs/dbraw/zinc/25/10/53/252251053.db2.gz GYSNLQMPGGALJX-QGZVFWFLSA-N 2 0 335.448 2.474 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)o2)c1 ZINC000360567712 164340816 /nfs/dbraw/zinc/34/08/16/164340816.db2.gz HAURQMBTVIFKLG-SFHVURJKSA-N 2 0 342.399 2.478 20 5 EEBDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000368835968 166136059 /nfs/dbraw/zinc/13/60/59/166136059.db2.gz VXCICLNYSBWAAD-UHFFFAOYSA-N 2 0 346.475 2.444 20 5 EEBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154907383 298619783 /nfs/dbraw/zinc/61/97/83/298619783.db2.gz OXCHGWZGYXBXBZ-CRAIPNDOSA-N 2 0 346.475 2.141 20 5 EEBDRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420388154 467390870 /nfs/dbraw/zinc/39/08/70/467390870.db2.gz WWWDVEHQVBSLDZ-ZWKOTPCHSA-N 2 0 349.431 2.192 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000449122422 467619594 /nfs/dbraw/zinc/61/95/94/467619594.db2.gz LIJNJNHYPMYUQJ-DOTOQJQBSA-N 2 0 335.448 2.208 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000449146807 467620822 /nfs/dbraw/zinc/62/08/22/467620822.db2.gz DPOKNURNHOYZBY-NVXWUHKLSA-N 2 0 335.448 2.352 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000593322270 468938714 /nfs/dbraw/zinc/93/87/14/468938714.db2.gz LQMYMMBQXUVLHV-CYBMUJFWSA-N 2 0 334.420 2.291 20 5 EEBDRP Cn1cc(C[NH2+]CCC[NH2+]C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415066968 534733538 /nfs/dbraw/zinc/73/35/38/534733538.db2.gz JSDLZFVTWOXOFP-UHFFFAOYSA-N 2 0 329.404 2.227 20 5 EEBDRP COc1c(O)ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227441 678280513 /nfs/dbraw/zinc/28/05/13/678280513.db2.gz KJNZCNDOJKOHTB-GXTWGEPZSA-N 2 0 335.404 2.225 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000873012109 1198473765 /nfs/dbraw/zinc/47/37/65/1198473765.db2.gz MYDUIZLLDSIRCD-UHFFFAOYSA-N 2 0 334.464 2.329 20 5 EEBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000853131404 1292292100 /nfs/dbraw/zinc/29/21/00/1292292100.db2.gz GZMJPXGYHUGJPQ-GOSISDBHSA-N 2 0 333.432 2.340 20 5 EEBDRP C[C@H]([NH3+])CC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246301659 1310277171 /nfs/dbraw/zinc/27/71/71/1310277171.db2.gz UNTHPANCOYKDDV-JTQLQIEISA-N 2 0 328.363 2.169 20 5 EEBDRP [NH3+]C[C@@]1(O)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205240951 1322327131 /nfs/dbraw/zinc/32/71/31/1322327131.db2.gz POYAUZXVQNRVQH-HXUWFJFHSA-N 2 0 336.439 2.459 20 5 EEBDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041481 240340227 /nfs/dbraw/zinc/34/02/27/240340227.db2.gz JCEJBYSJTZHMKQ-BPNCWPANSA-N 2 0 327.812 2.133 20 5 EEBDRP O=C(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000357068234 163615700 /nfs/dbraw/zinc/61/57/00/163615700.db2.gz DPMMHWCFURHJNR-HNNXBMFYSA-N 2 0 346.431 2.245 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CCOc1cccc([N+](=O)[O-])c1 ZINC000374420309 167038971 /nfs/dbraw/zinc/03/89/71/167038971.db2.gz LHJOOGWBAUUSPC-JLSDUUJJSA-N 2 0 349.431 2.157 20 5 EEBDRP COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1O ZINC000278505701 269235094 /nfs/dbraw/zinc/23/50/94/269235094.db2.gz OUZBRBXHNCYYNI-UHFFFAOYSA-N 2 0 335.404 2.273 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153895277 289114144 /nfs/dbraw/zinc/11/41/44/289114144.db2.gz XLCHBJCIVLFMAU-UHFFFAOYSA-N 2 0 343.859 2.353 20 5 EEBDRP CN1CCNC[C@@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414979018 313119412 /nfs/dbraw/zinc/11/94/12/313119412.db2.gz TTXAYRTWVXLSDA-OAHLLOKOSA-N 2 0 346.456 2.317 20 5 EEBDRP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000262018501 463927021 /nfs/dbraw/zinc/92/70/21/463927021.db2.gz WVWBPQSFPSECOL-QGZVFWFLSA-N 2 0 346.431 2.022 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000423427622 466747649 /nfs/dbraw/zinc/74/76/49/466747649.db2.gz GAEPFMWZSFTTEP-ZJIFWQFVSA-N 2 0 333.436 2.253 20 5 EEBDRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420388153 467390505 /nfs/dbraw/zinc/39/05/05/467390505.db2.gz WWWDVEHQVBSLDZ-ROUUACIJSA-N 2 0 349.431 2.192 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420418653 467402128 /nfs/dbraw/zinc/40/21/28/467402128.db2.gz XCMJOMDSNGFMLT-GXTWGEPZSA-N 2 0 334.420 2.149 20 5 EEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000873260885 1198543664 /nfs/dbraw/zinc/54/36/64/1198543664.db2.gz JLNUAWDSGTWOJC-QRJUGERDSA-N 2 0 333.436 2.395 20 5 EEBDRP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878747164 1200652661 /nfs/dbraw/zinc/65/26/61/1200652661.db2.gz JUTSJWNGNPOJKJ-GOSISDBHSA-N 2 0 342.399 2.236 20 5 EEBDRP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903758190 1241855139 /nfs/dbraw/zinc/85/51/39/1241855139.db2.gz JIYMDGMMEBRGLZ-MRXNPFEDSA-N 2 0 333.432 2.228 20 5 EEBDRP CC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001229896163 1302980011 /nfs/dbraw/zinc/98/00/11/1302980011.db2.gz WDXPMZPVXUDTLS-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001151361307 1316512929 /nfs/dbraw/zinc/51/29/29/1316512929.db2.gz DXJGGFGHFBPLIV-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000173717830 152190638 /nfs/dbraw/zinc/19/06/38/152190638.db2.gz CRJLVLQJUJJPSA-UHFFFAOYSA-N 2 0 348.447 2.001 20 5 EEBDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420397567 467395155 /nfs/dbraw/zinc/39/51/55/467395155.db2.gz XNSNXWWICBCQFT-YJBOKZPZSA-N 2 0 349.431 2.192 20 5 EEBDRP C[NH+](C)C1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602701068 469020534 /nfs/dbraw/zinc/02/05/34/469020534.db2.gz ZMGRJWRZZQHBDL-UHFFFAOYSA-N 2 0 347.463 2.421 20 5 EEBDRP COc1c(O)ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000894477667 682918826 /nfs/dbraw/zinc/91/88/26/682918826.db2.gz VLABBPNORGCJBV-CQSZACIVSA-N 2 0 349.431 2.473 20 5 EEBDRP CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000872038759 1198033606 /nfs/dbraw/zinc/03/36/06/1198033606.db2.gz PWAWBMWJIXZTKR-GFCCVEGCSA-N 2 0 339.461 2.424 20 5 EEBDRP Cc1c(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cccc1[N+](=O)[O-] ZINC000873052218 1198485574 /nfs/dbraw/zinc/48/55/74/1198485574.db2.gz SXNJGGXHSGAFSS-INIZCTEOSA-N 2 0 332.448 2.161 20 5 EEBDRP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001229679171 1302912974 /nfs/dbraw/zinc/91/29/74/1302912974.db2.gz RUMUCNWMGJENIA-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001157098834 1318401402 /nfs/dbraw/zinc/40/14/02/1318401402.db2.gz BIYRYNALTRFPGW-UHFFFAOYSA-N 2 0 336.783 2.472 20 5 EEBDRP [NH2+]=C(NCCCC[NH3+])Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001167877742 778950756 /nfs/dbraw/zinc/95/07/56/778950756.db2.gz CTRYRDJZJKNACI-UHFFFAOYSA-N 2 0 348.176 2.172 20 5 EEBDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000274871037 269067561 /nfs/dbraw/zinc/06/75/61/269067561.db2.gz XBAJPDIVSSPIGD-NVXWUHKLSA-N 2 0 343.431 2.292 20 5 EEBDRP C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(NC3CC[NH+](C)CC3)n2)CC1 ZINC000278425198 274354387 /nfs/dbraw/zinc/35/43/87/274354387.db2.gz RDOIXMRXDPJTCQ-UHFFFAOYSA-N 2 0 348.451 2.002 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000449072053 315412275 /nfs/dbraw/zinc/41/22/75/315412275.db2.gz DMINUIPYCNPDCH-HNNXBMFYSA-N 2 0 334.464 2.141 20 5 EEBDRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282560904 464866192 /nfs/dbraw/zinc/86/61/92/464866192.db2.gz YMPWUSWVEGNEJQ-UHFFFAOYSA-N 2 0 348.491 2.485 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000298797373 465508903 /nfs/dbraw/zinc/50/89/03/465508903.db2.gz IYKKMKNXYSNENJ-UHFFFAOYSA-N 2 0 342.465 2.002 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423436904 466749474 /nfs/dbraw/zinc/74/94/74/466749474.db2.gz MAFLJIBTWZFOKB-AFAVFJNCSA-N 2 0 346.431 2.290 20 5 EEBDRP CN1CCN(C)[C@@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417317852 466832112 /nfs/dbraw/zinc/83/21/12/466832112.db2.gz XNHRUVGIDKPPPI-FUHWJXTLSA-N 2 0 332.448 2.198 20 5 EEBDRP CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000420301022 467344109 /nfs/dbraw/zinc/34/41/09/467344109.db2.gz ACMGFYHLAUABIL-LLVKDONJSA-N 2 0 340.811 2.261 20 5 EEBDRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420342846 467369351 /nfs/dbraw/zinc/36/93/51/467369351.db2.gz QBQLEDXBXFKMMN-CABCVRRESA-N 2 0 346.431 2.245 20 5 EEBDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420382083 467387309 /nfs/dbraw/zinc/38/73/09/467387309.db2.gz DKCXUGVSCQNGRX-FUHWJXTLSA-N 2 0 333.432 2.356 20 5 EEBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CC[NH2+]CC3)s2)cc1 ZINC000414867869 467441906 /nfs/dbraw/zinc/44/19/06/467441906.db2.gz OXBPRMFUADMUBF-UHFFFAOYSA-N 2 0 346.456 2.318 20 5 EEBDRP COc1cc(CNCC2([NH3+])CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000414870742 467442668 /nfs/dbraw/zinc/44/26/68/467442668.db2.gz CHFMQQWCMONTHG-UHFFFAOYSA-N 2 0 345.346 2.218 20 5 EEBDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435372452 467462943 /nfs/dbraw/zinc/46/29/43/467462943.db2.gz RHEZVJROOACXFN-OLZOCXBDSA-N 2 0 329.404 2.164 20 5 EEBDRP CC[NH+](CC)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602586237 469372704 /nfs/dbraw/zinc/37/27/04/469372704.db2.gz LIIOWRBTMFLDKQ-UHFFFAOYSA-N 2 0 335.452 2.280 20 5 EEBDRP C[C@@H]1C[NH2+]C[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246096760 1310235367 /nfs/dbraw/zinc/23/53/67/1310235367.db2.gz FWSXRWKSTWOWGA-GJZGRUSLSA-N 2 0 332.448 2.399 20 5 EEBDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001202217403 1368897270 /nfs/dbraw/zinc/89/72/70/1368897270.db2.gz NDZVCGZXWNEOTA-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000442780919 242111665 /nfs/dbraw/zinc/11/16/65/242111665.db2.gz OMHOXESJCFJBSA-CHWSQXEVSA-N 2 0 330.388 2.461 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000344844886 161250653 /nfs/dbraw/zinc/25/06/53/161250653.db2.gz CSIWDLJHUICMMQ-UVQBRAAOSA-N 2 0 332.448 2.224 20 5 EEBDRP O=[N+]([O-])c1cccnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299550584 294771308 /nfs/dbraw/zinc/77/13/08/294771308.db2.gz LGDLFHODUCBOGN-UHFFFAOYSA-N 2 0 342.403 2.009 20 5 EEBDRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576886468 320212742 /nfs/dbraw/zinc/21/27/42/320212742.db2.gz LDDHQUDSHPTDJJ-QGZVFWFLSA-N 2 0 332.448 2.199 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000357104460 465775853 /nfs/dbraw/zinc/77/58/53/465775853.db2.gz MEBLHSGXYPBBAC-LSDHHAIUSA-N 2 0 342.399 2.334 20 5 EEBDRP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420322544 467356484 /nfs/dbraw/zinc/35/64/84/467356484.db2.gz SRDPBLHKWXICKS-PBWFPOADSA-N 2 0 332.404 2.138 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000447530342 467587827 /nfs/dbraw/zinc/58/78/27/467587827.db2.gz MIHZBBDMESQZPF-LVQVYYBASA-N 2 0 333.436 2.491 20 5 EEBDRP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001230112827 1303066971 /nfs/dbraw/zinc/06/69/71/1303066971.db2.gz BPGBVERQOJQYSJ-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP COCCC[NH+]1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254573470 1318126210 /nfs/dbraw/zinc/12/62/10/1318126210.db2.gz ABSXGJYGKDWGLM-QGZVFWFLSA-N 2 0 333.432 2.153 20 5 EEBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1 ZINC001159789324 1319992722 /nfs/dbraw/zinc/99/27/22/1319992722.db2.gz SJMHLBBGBGOEPG-CYBMUJFWSA-N 2 0 336.783 2.141 20 5 EEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001336802057 1336597362 /nfs/dbraw/zinc/59/73/62/1336597362.db2.gz AOKOHMRFBMQASB-QAPCUYQASA-N 2 0 333.432 2.340 20 5 EEBDRP C[NH2+]Cc1ccccc1CNCc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001578741441 1344299073 /nfs/dbraw/zinc/29/90/73/1344299073.db2.gz QEOIMIXYBHQGCQ-UHFFFAOYSA-N 2 0 331.372 2.318 20 5 EEBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc([N+](=O)[O-])c(OCc2ccccc2)n1 ZINC001170897915 785236493 /nfs/dbraw/zinc/23/64/93/785236493.db2.gz QJQRQKHSTNPFBR-CQSZACIVSA-N 2 0 331.376 2.004 20 5 EEBDRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000352507473 162164459 /nfs/dbraw/zinc/16/44/59/162164459.db2.gz CQIGPSSXFSQNNT-ZDUSSCGKSA-N 2 0 348.403 2.096 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000590600126 468283399 /nfs/dbraw/zinc/28/33/99/468283399.db2.gz KPRUBNFSGHHTAR-UHFFFAOYSA-N 2 0 329.360 2.013 20 5 EEBDRP C[NH2+][C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261762292 463851421 /nfs/dbraw/zinc/85/14/21/463851421.db2.gz NCAJJMWJCLWFIG-AWEZNQCLSA-N 2 0 330.388 2.476 20 5 EEBDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000351865473 465406077 /nfs/dbraw/zinc/40/60/77/465406077.db2.gz NLCOYJUXRQWREX-GXTWGEPZSA-N 2 0 330.388 2.461 20 5 EEBDRP Cn1cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591281802 468438444 /nfs/dbraw/zinc/43/84/44/468438444.db2.gz KWHWKLKUTGCJMF-MRXNPFEDSA-N 2 0 341.415 2.227 20 5 EEBDRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423387986 466735711 /nfs/dbraw/zinc/73/57/11/466735711.db2.gz MJSYXCGRPBDRKE-BXUZGUMPSA-N 2 0 346.353 2.082 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CC[NH2+]CC1 ZINC000593322276 468938577 /nfs/dbraw/zinc/93/85/77/468938577.db2.gz LQMYMMBQXUVLHV-ZDUSSCGKSA-N 2 0 334.420 2.291 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000841079263 1315469864 /nfs/dbraw/zinc/46/98/64/1315469864.db2.gz KNEUSUORDKAAGO-QGZVFWFLSA-N 2 0 330.432 2.295 20 5 EEBDRP C[C@H]([NH3+])c1ccc2c(ccn2-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c1 ZINC001155347409 1317559966 /nfs/dbraw/zinc/55/99/66/1317559966.db2.gz WBOZFDOPMLPWGU-JTQLQIEISA-N 2 0 338.371 2.035 20 5 EEBDRP C[NH+]1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001157915989 1318929098 /nfs/dbraw/zinc/92/90/98/1318929098.db2.gz JLHCXLRUGXNSBF-UHFFFAOYSA-N 2 0 340.387 2.251 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001163125499 1321043009 /nfs/dbraw/zinc/04/30/09/1321043009.db2.gz DAOJEQHJWAFHSP-UHFFFAOYSA-N 2 0 330.392 2.421 20 5 EEBDRP CC[NH+](CC)CCN(CC[NH3+])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910784 797170131 /nfs/dbraw/zinc/17/01/31/797170131.db2.gz DENYTMGRJJWPDH-GOSISDBHSA-N 2 0 348.491 2.445 20 5 EEBDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039490 803581991 /nfs/dbraw/zinc/58/19/91/803581991.db2.gz QBBZJOWTJBZPCL-ZWKOTPCHSA-N 2 0 342.528 2.417 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001169044674 803585391 /nfs/dbraw/zinc/58/53/91/803585391.db2.gz IPGCPYHSHPFUOL-OKYOBFRVSA-N 2 0 329.444 2.496 20 5 EEBDRP COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170341379 809915032 /nfs/dbraw/zinc/91/50/32/809915032.db2.gz PXDMSZDRFZNMNN-IMJJTQAJSA-N 2 0 333.432 2.418 20 5 EEBDRP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414952015 313114005 /nfs/dbraw/zinc/11/40/05/313114005.db2.gz QKOLWCLQOVKQST-IUODEOHRSA-N 2 0 329.404 2.225 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343728 467370322 /nfs/dbraw/zinc/37/03/22/467370322.db2.gz RCHZBNUWXZKYCX-LSDHHAIUSA-N 2 0 346.431 2.163 20 5 EEBDRP CC[NH2+]CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000430575860 467444479 /nfs/dbraw/zinc/44/44/79/467444479.db2.gz AUBNJUBHUYWUIK-UHFFFAOYSA-N 2 0 334.420 2.245 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000593736127 469115733 /nfs/dbraw/zinc/11/57/33/469115733.db2.gz GSZUQADLRZZGFG-PBFPGSCMSA-N 2 0 337.395 2.452 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593736028 469115873 /nfs/dbraw/zinc/11/58/73/469115873.db2.gz FENNIPTUIIUYMK-JFIYKMOQSA-N 2 0 333.432 2.356 20 5 EEBDRP COc1c(O)ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496804 682930846 /nfs/dbraw/zinc/93/08/46/682930846.db2.gz QWFRLEIRIZLJPN-JSGCOSHPSA-N 2 0 335.404 2.225 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000853131136 1292292255 /nfs/dbraw/zinc/29/22/55/1292292255.db2.gz BDKRNZCUTWVSFM-GOSISDBHSA-N 2 0 333.432 2.340 20 5 EEBDRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843348929 1315896127 /nfs/dbraw/zinc/89/61/27/1315896127.db2.gz YVPSLJMETBNIGM-NSHDSACASA-N 2 0 338.383 2.122 20 5 EEBDRP CC[NH+](CC)CCN1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173230026 797311204 /nfs/dbraw/zinc/31/12/04/797311204.db2.gz XGXSOGYBWVKPRC-QGZVFWFLSA-N 2 0 348.491 2.485 20 5 EEBDRP COc1ccc(OCC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000422635673 240169288 /nfs/dbraw/zinc/16/92/88/240169288.db2.gz LWYVJIQLMXPRBX-MCIONIFRSA-N 2 0 337.420 2.287 20 5 EEBDRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000134088650 205392068 /nfs/dbraw/zinc/39/20/68/205392068.db2.gz FGTAOOVDBFBTFR-UHFFFAOYSA-N 2 0 333.432 2.447 20 5 EEBDRP O=C(CC[NH2+]CC1CC[NH+](C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000580316050 324038639 /nfs/dbraw/zinc/03/86/39/324038639.db2.gz RLPUKFGGAJSCDR-UHFFFAOYSA-N 2 0 346.431 2.387 20 5 EEBDRP Cc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326123502 465034721 /nfs/dbraw/zinc/03/47/21/465034721.db2.gz GIFAOLAWMWJOPQ-AWEZNQCLSA-N 2 0 329.404 2.109 20 5 EEBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449130804 467620007 /nfs/dbraw/zinc/62/00/07/467620007.db2.gz HWXNUVGUOSDLDU-IAGOWNOFSA-N 2 0 348.491 2.389 20 5 EEBDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000592428402 468696064 /nfs/dbraw/zinc/69/60/64/468696064.db2.gz IEPFSNWCYXSMNJ-UHFFFAOYSA-N 2 0 344.415 2.192 20 5 EEBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488744 468710001 /nfs/dbraw/zinc/71/00/01/468710001.db2.gz MWPQWJCLTGDGDR-ZFWWWQNUSA-N 2 0 334.420 2.291 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000593314750 468936524 /nfs/dbraw/zinc/93/65/24/468936524.db2.gz HGILOFZQGXNKCO-CPUCHLNUSA-N 2 0 337.395 2.452 20 5 EEBDRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001153315055 1316809798 /nfs/dbraw/zinc/80/97/98/1316809798.db2.gz VXSGMFBUJDNKDH-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP Cc1cc(C)c([N+](=O)[O-])c(N(C2CC[NH2+]CC2)C2CC[NH+](C)CC2)n1 ZINC001158580341 1319320026 /nfs/dbraw/zinc/32/00/26/1319320026.db2.gz DVIYSKHZJWRKIY-UHFFFAOYSA-N 2 0 347.463 2.259 20 5 EEBDRP C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1C[NH3+] ZINC001576811217 1344064508 /nfs/dbraw/zinc/06/45/08/1344064508.db2.gz CRZJFWYKJBVTLA-AAEUAGOBSA-N 2 0 331.376 2.062 20 5 EEBDRP C[N@@H+]1CCc2c(-n3ccc4cc(C[NH3+])cnc43)ccc([N+](=O)[O-])c2C1 ZINC001167316325 757923365 /nfs/dbraw/zinc/92/33/65/757923365.db2.gz PMLIBMJNPAWUDS-UHFFFAOYSA-N 2 0 337.383 2.380 20 5 EEBDRP C[C@@H](C[NH3+])C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009737 797195256 /nfs/dbraw/zinc/19/52/56/797195256.db2.gz PWHWGDWZNQAUAU-JTQLQIEISA-N 2 0 328.363 2.026 20 5 EEBDRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420344515 239768961 /nfs/dbraw/zinc/76/89/61/239768961.db2.gz TZNZIMNAKKYPNB-QGZVFWFLSA-N 2 0 346.431 2.387 20 5 EEBDRP C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374919027 167069266 /nfs/dbraw/zinc/06/92/66/167069266.db2.gz SXMNALPUTWNBLK-WBVHZDCISA-N 2 0 343.431 2.292 20 5 EEBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000443061914 315227307 /nfs/dbraw/zinc/22/73/07/315227307.db2.gz SMRZCURBZSMPSY-GFCCVEGCSA-N 2 0 331.376 2.206 20 5 EEBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154907123 462821618 /nfs/dbraw/zinc/82/16/18/462821618.db2.gz OXCHGWZGYXBXBZ-YJBOKZPZSA-N 2 0 346.475 2.141 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591281567 468437782 /nfs/dbraw/zinc/43/77/82/468437782.db2.gz AARNNIOAEUDWDZ-IUODEOHRSA-N 2 0 332.404 2.044 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000371295407 465695969 /nfs/dbraw/zinc/69/59/69/465695969.db2.gz RDHINXIRHSGJCS-SQNIBIBYSA-N 2 0 333.432 2.321 20 5 EEBDRP COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c([N+](=O)[O-])c1 ZINC000593729055 469111297 /nfs/dbraw/zinc/11/12/97/469111297.db2.gz DNVZASBFCYZWTB-GUYCJALGSA-N 2 0 335.404 2.043 20 5 EEBDRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733339 469114061 /nfs/dbraw/zinc/11/40/61/469114061.db2.gz LQGJUYXQANKWHL-XJKSGUPXSA-N 2 0 334.420 2.373 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259594 1198543675 /nfs/dbraw/zinc/54/36/75/1198543675.db2.gz HSVIHQGEESSBKK-UGQVUOCMSA-N 2 0 346.431 2.432 20 5 EEBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H](C)C[NH3+] ZINC001219005494 1297903625 /nfs/dbraw/zinc/90/36/25/1297903625.db2.gz PKWMNZZXVMACFS-NSHDSACASA-N 2 0 338.411 2.490 20 5 EEBDRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001230373824 1303181683 /nfs/dbraw/zinc/18/16/83/1303181683.db2.gz BJMZNOQHDGZKEE-UHFFFAOYSA-N 2 0 348.447 2.016 20 5 EEBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246475404 1310318729 /nfs/dbraw/zinc/31/87/29/1310318729.db2.gz DZUSUKZWDDYOIL-ZLDLUXBVSA-N 2 0 325.384 2.072 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001254540692 1318115888 /nfs/dbraw/zinc/11/58/88/1318115888.db2.gz UHVPZPURZVORKK-VIFPVBQESA-N 2 0 341.462 2.410 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001168992971 803560605 /nfs/dbraw/zinc/56/06/05/803560605.db2.gz LXBOWUBDUSXMRV-IAGOWNOFSA-N 2 0 332.448 2.329 20 5 EEBDRP COCC[N@H+](C)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268798814 252252354 /nfs/dbraw/zinc/25/23/54/252252354.db2.gz GYSNLQMPGGALJX-KRWDZBQOSA-N 2 0 335.448 2.474 20 5 EEBDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370633098 274262489 /nfs/dbraw/zinc/26/24/89/274262489.db2.gz FPWIOGXIASOHNM-ZBFHGGJFSA-N 2 0 332.448 2.414 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269994752 464151690 /nfs/dbraw/zinc/15/16/90/464151690.db2.gz HICKTQCSYTUHNN-DOTOQJQBSA-N 2 0 347.459 2.352 20 5 EEBDRP C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000192822903 465005734 /nfs/dbraw/zinc/00/57/34/465005734.db2.gz DFJHAMCPXBVOSF-HNAYVOBHSA-N 2 0 346.475 2.445 20 5 EEBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC23CC[NH2+]CC3)c1 ZINC000591281648 468437179 /nfs/dbraw/zinc/43/71/79/468437179.db2.gz HXFFPTWJYZFZPF-ZDUSSCGKSA-N 2 0 327.331 2.428 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420364543 467379801 /nfs/dbraw/zinc/37/98/01/467379801.db2.gz PEOIBUIBQYYHOD-HNNXBMFYSA-N 2 0 334.420 2.210 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430571221 467443052 /nfs/dbraw/zinc/44/30/52/467443052.db2.gz HRFVABZFLOYBGS-ZIAGYGMSSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1c(NC(=O)CC[NH+]2CCC3(CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000431044227 467489803 /nfs/dbraw/zinc/48/98/03/467489803.db2.gz VLCIIJUZVYLBCB-UHFFFAOYSA-N 2 0 346.431 2.307 20 5 EEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000449758457 467708909 /nfs/dbraw/zinc/70/89/09/467708909.db2.gz ZYEZPIQKWUFJHM-UHFFFAOYSA-N 2 0 334.464 2.409 20 5 EEBDRP Cc1c(NC(=O)[C@@H](C)N2CCC(CC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000584475025 468880755 /nfs/dbraw/zinc/88/07/55/468880755.db2.gz RJONQWVEBQSBBW-CYBMUJFWSA-N 2 0 334.420 2.291 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593737668 469117470 /nfs/dbraw/zinc/11/74/70/469117470.db2.gz TVQHHFACNIQMLN-DAYGRLMNSA-N 2 0 349.431 2.192 20 5 EEBDRP C[N@@H+]1CCC[C@@H]2CN(Cn3ncc4ccc([N+](=O)[O-])cc43)CC[C@H]21 ZINC000247225098 675738074 /nfs/dbraw/zinc/73/80/74/675738074.db2.gz XXQMIUGUUDDDHX-GDBMZVCRSA-N 2 0 329.404 2.318 20 5 EEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246982305 1310488463 /nfs/dbraw/zinc/48/84/63/1310488463.db2.gz AWVVHVLJEGZIFH-CRAIPNDOSA-N 2 0 334.464 2.141 20 5 EEBDRP CC1([NH3+])CN(C(=O)[C@@H]([NH3+])Cc2c3ccccc3cc3ccccc32)C1 ZINC001157643616 1318765033 /nfs/dbraw/zinc/76/50/33/1318765033.db2.gz DSUBUGFPEUKGLZ-IBGZPJMESA-N 2 0 333.435 2.422 20 5 EEBDRP [NH3+]C[C@]1(O)CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205688546 1323246540 /nfs/dbraw/zinc/24/65/40/1323246540.db2.gz JBRNWOWJMJDYTI-HXUWFJFHSA-N 2 0 336.439 2.459 20 5 EEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)CC2 ZINC001172900856 797129590 /nfs/dbraw/zinc/12/95/90/797129590.db2.gz GVPFYOFKWCOQPS-GOSISDBHSA-N 2 0 347.459 2.136 20 5 EEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422633829 240166319 /nfs/dbraw/zinc/16/63/19/240166319.db2.gz ISKUZUNBXZEYCB-MCIONIFRSA-N 2 0 334.420 2.229 20 5 EEBDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000344163430 161203712 /nfs/dbraw/zinc/20/37/12/161203712.db2.gz ZYLACBJBGNLGLA-UHFFFAOYSA-N 2 0 334.464 2.444 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000443056821 315226120 /nfs/dbraw/zinc/22/61/20/315226120.db2.gz DFOBWNJTSGAAMU-AWEZNQCLSA-N 2 0 334.420 2.293 20 5 EEBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000443057305 315226696 /nfs/dbraw/zinc/22/66/96/315226696.db2.gz GFBURKVLCHLIKZ-GFCCVEGCSA-N 2 0 331.376 2.206 20 5 EEBDRP Cc1c([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000120925145 463054189 /nfs/dbraw/zinc/05/41/89/463054189.db2.gz IISRQRZFRZYURS-ZBFHGGJFSA-N 2 0 334.464 2.437 20 5 EEBDRP C[NH2+]CCC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592428717 468695992 /nfs/dbraw/zinc/69/59/92/468695992.db2.gz QAOXBFRDJNWVNL-UHFFFAOYSA-N 2 0 335.404 2.188 20 5 EEBDRP C[NH+]1CCC(C)(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611543696 469275951 /nfs/dbraw/zinc/27/59/51/469275951.db2.gz AWWPPFIPQRCTBG-UHFFFAOYSA-N 2 0 335.404 2.188 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cn1 ZINC000602510158 469343584 /nfs/dbraw/zinc/34/35/84/469343584.db2.gz DHOWQNIIFIFYRI-UHFFFAOYSA-N 2 0 347.463 2.424 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000616008142 469352892 /nfs/dbraw/zinc/35/28/92/469352892.db2.gz PDPGZPPDZVSSBB-CWRNSKLLSA-N 2 0 333.436 2.349 20 5 EEBDRP C[C@@H](C[NH3+])C[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010494 797195912 /nfs/dbraw/zinc/19/59/12/797195912.db2.gz XESBEVWPSJNMMC-NSHDSACASA-N 2 0 342.390 2.368 20 5 EEBDRP COc1ccccc1CC1([NH3+])CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000664 803565977 /nfs/dbraw/zinc/56/59/77/803565977.db2.gz YOVPUASEIJSEPY-DOTOQJQBSA-N 2 0 347.459 2.476 20 5 EEBDRP COc1ccc(C2([NH3+])CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169006343 803568151 /nfs/dbraw/zinc/56/81/51/803568151.db2.gz XOVWAZKBNFIGLB-HOCLYGCPSA-N 2 0 333.432 2.390 20 5 EEBDRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036782 803580253 /nfs/dbraw/zinc/58/02/53/803580253.db2.gz HIFJHNMVJCOXNY-QZTJIDSGSA-N 2 0 340.512 2.171 20 5 EEBDRP Cc1cc(NCCN2CC[NH+](C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272854807 256243832 /nfs/dbraw/zinc/24/38/32/256243832.db2.gz PDUFJFHFCFZKAD-UHFFFAOYSA-N 2 0 329.404 2.111 20 5 EEBDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858165 159046395 /nfs/dbraw/zinc/04/63/95/159046395.db2.gz YZODSOFTEWRVTB-AWEZNQCLSA-N 2 0 334.420 2.197 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617759 162213380 /nfs/dbraw/zinc/21/33/80/162213380.db2.gz IOTCTNOUXXWJNP-XOKHGSTOSA-N 2 0 337.395 2.417 20 5 EEBDRP [NH3+]C1(c2noc(-c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)n2)CCC1 ZINC000261807625 274100325 /nfs/dbraw/zinc/10/03/25/274100325.db2.gz HMLVPFXQUUYQQP-UHFFFAOYSA-N 2 0 326.316 2.168 20 5 EEBDRP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414697939 313065316 /nfs/dbraw/zinc/06/53/16/313065316.db2.gz WYKNMJOASUPCFA-MRXNPFEDSA-N 2 0 348.447 2.003 20 5 EEBDRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000420389316 313948932 /nfs/dbraw/zinc/94/89/32/313948932.db2.gz YAFPGGRGHSEETI-YJBOKZPZSA-N 2 0 349.431 2.192 20 5 EEBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC[NH+]1CCCC1 ZINC000281251998 464386723 /nfs/dbraw/zinc/38/67/23/464386723.db2.gz GWZUKFDAZTVROU-AWEZNQCLSA-N 2 0 334.420 2.340 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430571216 467442778 /nfs/dbraw/zinc/44/27/78/467442778.db2.gz HRFVABZFLOYBGS-KBPBESRZSA-N 2 0 334.420 2.291 20 5 EEBDRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)c([N+](=O)[O-])cc1OC(F)F ZINC000430589917 467448381 /nfs/dbraw/zinc/44/83/81/467448381.db2.gz GCJQJEIFWHXLIT-UHFFFAOYSA-N 2 0 345.346 2.376 20 5 EEBDRP O=[N+]([O-])c1cccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)c1 ZINC000592984030 468833309 /nfs/dbraw/zinc/83/33/09/468833309.db2.gz CVJFSMQSGYPIAB-UHFFFAOYSA-N 2 0 332.448 2.497 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000873052242 1198485411 /nfs/dbraw/zinc/48/54/11/1198485411.db2.gz USXNBXAIBNVEOA-INIZCTEOSA-N 2 0 346.475 2.470 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2CC[C@]21C[NH3+] ZINC001579642875 1344402354 /nfs/dbraw/zinc/40/23/54/1344402354.db2.gz ZWOXYVUKONXYQB-GUYCJALGSA-N 2 0 332.404 2.045 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423508095 240509947 /nfs/dbraw/zinc/50/99/47/240509947.db2.gz NMMBXWZVWYOBSY-IVMMDQJWSA-N 2 0 329.404 2.135 20 5 EEBDRP CN(CCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1)CC[NH+](C)C ZINC000289446223 275116417 /nfs/dbraw/zinc/11/64/17/275116417.db2.gz OSVYZBPRFKPEBI-UHFFFAOYSA-N 2 0 349.435 2.051 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000290923495 275252877 /nfs/dbraw/zinc/25/28/77/275252877.db2.gz QUVCZMJUESDQRD-UHFFFAOYSA-N 2 0 348.230 2.448 20 5 EEBDRP O=[N+]([O-])c1ccc(-c2noc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000431042189 314609189 /nfs/dbraw/zinc/60/91/89/314609189.db2.gz DKNBILHFHLEBRD-UHFFFAOYSA-N 2 0 343.387 2.220 20 5 EEBDRP CC[NH+]1CCC(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564846674 319117495 /nfs/dbraw/zinc/11/74/95/319117495.db2.gz RAEKZBIDETXERV-UHFFFAOYSA-N 2 0 334.420 2.245 20 5 EEBDRP C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000576172418 320147724 /nfs/dbraw/zinc/14/77/24/320147724.db2.gz LTYZJWRSQNWXLM-WMLDXEAASA-N 2 0 332.448 2.055 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000077450172 462986123 /nfs/dbraw/zinc/98/61/23/462986123.db2.gz CUEJADNZBANVBZ-UHFFFAOYSA-N 2 0 345.399 2.401 20 5 EEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000139980234 463335314 /nfs/dbraw/zinc/33/53/14/463335314.db2.gz QBURJAMMFIKMLA-HOCLYGCPSA-N 2 0 346.431 2.340 20 5 EEBDRP COc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1OC ZINC000350185473 466420052 /nfs/dbraw/zinc/42/00/52/466420052.db2.gz VEDSKMYWYGRTMD-UHFFFAOYSA-N 2 0 337.420 2.386 20 5 EEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449080239 467617093 /nfs/dbraw/zinc/61/70/93/467617093.db2.gz UNEFGRRWUMAOOM-HZPDHXFCSA-N 2 0 334.464 2.141 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000592433566 468696389 /nfs/dbraw/zinc/69/63/89/468696389.db2.gz CGKOPCAKGZXMBQ-AWEZNQCLSA-N 2 0 347.415 2.188 20 5 EEBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602687600 469011231 /nfs/dbraw/zinc/01/12/31/469011231.db2.gz OBKQTALZTLLCSO-HNNXBMFYSA-N 2 0 347.463 2.280 20 5 EEBDRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733335 469114501 /nfs/dbraw/zinc/11/45/01/469114501.db2.gz LQGJUYXQANKWHL-BBRMVZONSA-N 2 0 334.420 2.373 20 5 EEBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877074079 1199858361 /nfs/dbraw/zinc/85/83/61/1199858361.db2.gz ZAUIKVMQFVTYTQ-JKSUJKDBSA-N 2 0 347.463 2.421 20 5 EEBDRP CC(C)[NH+]1CCN(C(=O)c2ccc(O[C@@H](C)C[N+](C)(C)C)cc2)CC1 ZINC001234903667 1305048810 /nfs/dbraw/zinc/04/88/10/1305048810.db2.gz KUMSBROVYGQCNK-KRWDZBQOSA-N 2 0 348.511 2.326 20 5 EEBDRP COc1cc(N2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001246201919 1310259515 /nfs/dbraw/zinc/25/95/15/1310259515.db2.gz YMDXDNYHQZQDAY-CQSZACIVSA-N 2 0 348.447 2.161 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC001246934173 1310471877 /nfs/dbraw/zinc/47/18/77/1310471877.db2.gz SLEARLUWXZRBIL-IYBDPMFKSA-N 2 0 344.459 2.495 20 5 EEBDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC001163832680 1321228822 /nfs/dbraw/zinc/22/88/22/1321228822.db2.gz FEAWXAGHOMYPCV-UHFFFAOYSA-N 2 0 348.447 2.065 20 5 EEBDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091601 240362119 /nfs/dbraw/zinc/36/21/19/240362119.db2.gz XUGSRYDIZYEVCX-QCZZGDTMSA-N 2 0 347.337 2.456 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000344832969 161249588 /nfs/dbraw/zinc/24/95/88/161249588.db2.gz OLYWXENYKPRKLK-NTCAYCPXSA-N 2 0 333.432 2.435 20 5 EEBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000375903641 167222316 /nfs/dbraw/zinc/22/23/16/167222316.db2.gz IMISSMUPNKPMHD-GOSISDBHSA-N 2 0 332.448 2.195 20 5 EEBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051960160 463055453 /nfs/dbraw/zinc/05/54/53/463055453.db2.gz DYAQJFOELGCWLN-UHFFFAOYSA-N 2 0 349.431 2.018 20 5 EEBDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000107369338 463567896 /nfs/dbraw/zinc/56/78/96/463567896.db2.gz NXGVHYGBCQCVSC-YJBOKZPZSA-N 2 0 332.448 2.368 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000151795030 463592793 /nfs/dbraw/zinc/59/27/93/463592793.db2.gz QYPYNKMCAAYEMC-GOSISDBHSA-N 2 0 347.459 2.210 20 5 EEBDRP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000283919570 464041683 /nfs/dbraw/zinc/04/16/83/464041683.db2.gz DOYMWDNHKIYORY-RDTXWAMCSA-N 2 0 349.479 2.100 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000357104459 465776185 /nfs/dbraw/zinc/77/61/85/465776185.db2.gz MEBLHSGXYPBBAC-HUUCEWRRSA-N 2 0 342.399 2.334 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423255288 466704748 /nfs/dbraw/zinc/70/47/48/466704748.db2.gz BNMFDOSKKJNTRH-KBPBESRZSA-N 2 0 334.420 2.291 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415001315 467465887 /nfs/dbraw/zinc/46/58/87/467465887.db2.gz LAFFVESYZIUKKU-HZSPNIEDSA-N 2 0 334.420 2.419 20 5 EEBDRP COc1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])cc1OC ZINC000430929017 467476771 /nfs/dbraw/zinc/47/67/71/467476771.db2.gz MTKGTBZKEJFHTJ-UHFFFAOYSA-N 2 0 335.404 2.188 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000449122424 467619527 /nfs/dbraw/zinc/61/95/27/467619527.db2.gz LIJNJNHYPMYUQJ-RDJZCZTQSA-N 2 0 335.448 2.208 20 5 EEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602808946 469089483 /nfs/dbraw/zinc/08/94/83/469089483.db2.gz FYRTWWZJZLSRMB-UKRRQHHQSA-N 2 0 335.452 2.342 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001254537311 1318114189 /nfs/dbraw/zinc/11/41/89/1318114189.db2.gz ZOUNQWHZFHMETI-HNNXBMFYSA-N 2 0 334.464 2.141 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000846225936 790093850 /nfs/dbraw/zinc/09/38/50/790093850.db2.gz ROKHKFKVZWXJQC-SRCQZFHVSA-N 2 0 337.395 2.452 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)c1F ZINC001173178086 797277916 /nfs/dbraw/zinc/27/79/16/797277916.db2.gz ZUVMTHQBUONKSE-RYUDHWBXSA-N 2 0 325.384 2.215 20 5 EEBDRP CC(C)(C)[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001169023910 803589630 /nfs/dbraw/zinc/58/96/30/803589630.db2.gz VHYMKVPKKFXWRN-XHSDSOJGSA-N 2 0 339.480 2.443 20 5 EEBDRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423013033 240330475 /nfs/dbraw/zinc/33/04/75/240330475.db2.gz LXJATMDOOBLYAE-AWEZNQCLSA-N 2 0 349.431 2.048 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423508097 240509585 /nfs/dbraw/zinc/50/95/85/240509585.db2.gz NMMBXWZVWYOBSY-XNRPHZJLSA-N 2 0 329.404 2.135 20 5 EEBDRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293074120 293118722 /nfs/dbraw/zinc/11/87/22/293118722.db2.gz VROKCBWAJQNYBF-SFHVURJKSA-N 2 0 346.431 2.341 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414799213 313092744 /nfs/dbraw/zinc/09/27/44/313092744.db2.gz JXEDUXGOPXKPBV-XJKCOSOUSA-N 2 0 334.420 2.419 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856214 313103602 /nfs/dbraw/zinc/10/36/02/313103602.db2.gz OBPGLXYQISRQBF-RDBSUJKOSA-N 2 0 334.420 2.290 20 5 EEBDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000415136604 313120625 /nfs/dbraw/zinc/12/06/25/313120625.db2.gz CTPHKYWSAFCVOL-UHFFFAOYSA-N 2 0 331.372 2.140 20 5 EEBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000443056941 315226281 /nfs/dbraw/zinc/22/62/81/315226281.db2.gz DULRFSJRENJZSP-UONOGXRCSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000443056943 315226665 /nfs/dbraw/zinc/22/66/65/315226665.db2.gz DULRFSJRENJZSP-ZIAGYGMSSA-N 2 0 334.420 2.291 20 5 EEBDRP [NH3+]CC1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430627551 467452574 /nfs/dbraw/zinc/45/25/74/467452574.db2.gz NQSQARMDWGHWJS-UHFFFAOYSA-N 2 0 330.388 2.463 20 5 EEBDRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246548057 1310337473 /nfs/dbraw/zinc/33/74/73/1310337473.db2.gz FIBWTAUHWQBMDL-AEFFLSMTSA-N 2 0 333.432 2.018 20 5 EEBDRP COc1cc(N2CCC([NH2+]C[C@@H]3CC[N@H+](C)C3)CC2)ccc1[N+](=O)[O-] ZINC001256086061 1318643280 /nfs/dbraw/zinc/64/32/80/1318643280.db2.gz VAHGRWNALXHMIF-AWEZNQCLSA-N 2 0 348.447 2.114 20 5 EEBDRP CC(C)[NH+]1CCN(CCCN2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001256604432 1318798484 /nfs/dbraw/zinc/79/84/84/1318798484.db2.gz QTDNVTDELYKVSX-UHFFFAOYSA-N 2 0 332.448 2.327 20 5 EEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001173220856 797302095 /nfs/dbraw/zinc/30/20/95/797302095.db2.gz HGGGYFUWQXUQPJ-FVQBIDKESA-N 2 0 333.432 2.497 20 5 EEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001173234589 797312204 /nfs/dbraw/zinc/31/22/04/797312204.db2.gz SGDUUBHKSDHAMV-INIZCTEOSA-N 2 0 334.464 2.095 20 5 EEBDRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423387988 240464604 /nfs/dbraw/zinc/46/46/04/240464604.db2.gz MJSYXCGRPBDRKE-RISCZKNCSA-N 2 0 346.353 2.082 20 5 EEBDRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424287038 240891176 /nfs/dbraw/zinc/89/11/76/240891176.db2.gz IGAWCGIJWOVWMC-CQSZACIVSA-N 2 0 346.431 2.387 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000344791880 161246153 /nfs/dbraw/zinc/24/61/53/161246153.db2.gz LHOKOLREJUGFCG-ZFOVBUMHSA-N 2 0 346.475 2.471 20 5 EEBDRP C[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000192832454 278285412 /nfs/dbraw/zinc/28/54/12/278285412.db2.gz LYBLEZMATROGFF-KBXCAEBGSA-N 2 0 332.448 2.198 20 5 EEBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192842811 279313028 /nfs/dbraw/zinc/31/30/28/279313028.db2.gz NZJPTIXKVCSAMF-RDTXWAMCSA-N 2 0 332.448 2.198 20 5 EEBDRP Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083861 463317347 /nfs/dbraw/zinc/31/73/47/463317347.db2.gz JUUDBSKBWAIWIP-AWEZNQCLSA-N 2 0 343.431 2.499 20 5 EEBDRP C[NH2+][C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261762295 463851280 /nfs/dbraw/zinc/85/12/80/463851280.db2.gz NCAJJMWJCLWFIG-CQSZACIVSA-N 2 0 330.388 2.476 20 5 EEBDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420393721 467393297 /nfs/dbraw/zinc/39/32/97/467393297.db2.gz QTZDAONVGVRAPA-MAUKXSAKSA-N 2 0 349.431 2.192 20 5 EEBDRP O=[N+]([O-])c1ccn(CC[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000610484786 468981672 /nfs/dbraw/zinc/98/16/72/468981672.db2.gz DAJYIUOLVCIGOR-UHFFFAOYSA-N 2 0 335.452 2.379 20 5 EEBDRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602656824 468992180 /nfs/dbraw/zinc/99/21/80/468992180.db2.gz OHUGAYAWRUWAQR-HNNXBMFYSA-N 2 0 347.463 2.279 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000873042744 1198482628 /nfs/dbraw/zinc/48/26/28/1198482628.db2.gz IFJBGDFRVGFDNV-CQSZACIVSA-N 2 0 334.464 2.185 20 5 EEBDRP [NH3+]C[C@H]1CCCN1C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246907620 1310463632 /nfs/dbraw/zinc/46/36/32/1310463632.db2.gz FVUFDMCIVSJZGE-GFCCVEGCSA-N 2 0 340.374 2.265 20 5 EEBDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818953225 785341745 /nfs/dbraw/zinc/34/17/45/785341745.db2.gz JAXFAJQUFHNFFU-SFHVURJKSA-N 2 0 329.400 2.480 20 5 EEBDRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000459744794 245233089 /nfs/dbraw/zinc/23/30/89/245233089.db2.gz XWFOVVLPCIPVBU-CYBMUJFWSA-N 2 0 337.420 2.434 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000344905631 161255131 /nfs/dbraw/zinc/25/51/31/161255131.db2.gz PQCJMFPDZWIATP-PTNGSMBKSA-N 2 0 333.432 2.292 20 5 EEBDRP Cn1cc(C[NH2+]CC2=CC[N@H+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000345154642 161277165 /nfs/dbraw/zinc/27/71/65/161277165.db2.gz AFIZJPRQLDYHNK-UHFFFAOYSA-N 2 0 341.415 2.347 20 5 EEBDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000411464977 312539714 /nfs/dbraw/zinc/53/97/14/312539714.db2.gz ZNIICDJSOCJACC-CQSZACIVSA-N 2 0 348.447 2.234 20 5 EEBDRP CC(C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000563417309 319008978 /nfs/dbraw/zinc/00/89/78/319008978.db2.gz LMMSKYNRNNTDIS-MJGOQNOKSA-N 2 0 346.475 2.444 20 5 EEBDRP C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000576172417 320147701 /nfs/dbraw/zinc/14/77/01/320147701.db2.gz LTYZJWRSQNWXLM-RHSMWYFYSA-N 2 0 332.448 2.055 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420397555 467394779 /nfs/dbraw/zinc/39/47/79/467394779.db2.gz XNSNXWWICBCQFT-CRAIPNDOSA-N 2 0 349.431 2.192 20 5 EEBDRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176880068 798610949 /nfs/dbraw/zinc/61/09/49/798610949.db2.gz OOUNZVILVDTTOO-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422633831 240167740 /nfs/dbraw/zinc/16/77/40/240167740.db2.gz ISKUZUNBXZEYCB-RDBSUJKOSA-N 2 0 334.420 2.229 20 5 EEBDRP CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CC[NH+](CC)CC1 ZINC000344173590 161204537 /nfs/dbraw/zinc/20/45/37/161204537.db2.gz VGSXOROMOPDIDN-UHFFFAOYSA-N 2 0 348.491 2.487 20 5 EEBDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000123368144 222265153 /nfs/dbraw/zinc/26/51/53/222265153.db2.gz UIRQEYAKCHMXNM-UHFFFAOYSA-N 2 0 348.447 2.248 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423479106 466754410 /nfs/dbraw/zinc/75/44/10/466754410.db2.gz LSQZOOYKJWZRGN-ZIAGYGMSSA-N 2 0 334.420 2.434 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420369810 467380668 /nfs/dbraw/zinc/38/06/68/467380668.db2.gz ONPGVSATWXDJMH-CJBNDPTMSA-N 2 0 334.420 2.208 20 5 EEBDRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc([N+](=O)[O-])cc3)c2)CC1 ZINC000601067781 468733192 /nfs/dbraw/zinc/73/31/92/468733192.db2.gz BVLKCPYCTDRLRT-UHFFFAOYSA-N 2 0 327.388 2.354 20 5 EEBDRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876773275 1199768107 /nfs/dbraw/zinc/76/81/07/1199768107.db2.gz YEBHOOQHFYZNCG-YJBOKZPZSA-N 2 0 348.447 2.102 20 5 EEBDRP COC(=O)C1=C[C@@H](OCCC[N+](C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001224621198 1300673482 /nfs/dbraw/zinc/67/34/82/1300673482.db2.gz MTQPUPOSEZJTCE-LJQANCHMSA-N 2 0 347.479 2.083 20 5 EEBDRP CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@](C)(C[NH3+])C1 ZINC001158272138 1319131318 /nfs/dbraw/zinc/13/13/18/1319131318.db2.gz SXONKQNHVAOJEA-SJKOYZFVSA-N 2 0 348.451 2.027 20 5 EEBDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809743042 783354531 /nfs/dbraw/zinc/35/45/31/783354531.db2.gz JNFDFNLAAAQBNZ-UHFFFAOYSA-N 2 0 340.855 2.318 20 5 EEBDRP COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1 ZINC000342106110 161040022 /nfs/dbraw/zinc/04/00/22/161040022.db2.gz OUSVOUOAKKTCHB-AEGPPILISA-N 2 0 335.404 2.041 20 5 EEBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000358504177 465163419 /nfs/dbraw/zinc/16/34/19/465163419.db2.gz HNCRJQOYXNHJGZ-AWEZNQCLSA-N 2 0 346.431 2.306 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114198723 462631128 /nfs/dbraw/zinc/63/11/28/462631128.db2.gz GTNHGIKMHMHMCT-AWEZNQCLSA-N 2 0 334.420 2.115 20 5 EEBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375905629 466881309 /nfs/dbraw/zinc/88/13/09/466881309.db2.gz MZKZKAHOFOAPDF-SFHVURJKSA-N 2 0 332.448 2.195 20 5 EEBDRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374175816 467024866 /nfs/dbraw/zinc/02/48/66/467024866.db2.gz RVVDGKXFKKDJCT-KRWDZBQOSA-N 2 0 333.432 2.436 20 5 EEBDRP CN1CC[NH2+]C[C@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414983120 467459961 /nfs/dbraw/zinc/45/99/61/467459961.db2.gz ZXJCIZGTTUWPQK-ZDUSSCGKSA-N 2 0 346.456 2.317 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435620336 467482047 /nfs/dbraw/zinc/48/20/47/467482047.db2.gz BEAAQKMHSMSHRT-CQSZACIVSA-N 2 0 334.420 2.306 20 5 EEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449253615 467625931 /nfs/dbraw/zinc/62/59/31/467625931.db2.gz ZNWIEUNLJRVWDA-HZPDHXFCSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000591739745 485595529 /nfs/dbraw/zinc/59/55/29/485595529.db2.gz YJTUBUKMNZDTJA-ZDUSSCGKSA-N 2 0 334.420 2.243 20 5 EEBDRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843378285 1315903820 /nfs/dbraw/zinc/90/38/20/1315903820.db2.gz NKFLCAFNVSRAIR-LBPRGKRZSA-N 2 0 338.383 2.123 20 5 EEBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001157096898 1318400096 /nfs/dbraw/zinc/40/00/96/1318400096.db2.gz OSWYFOMAQHSMRI-UHFFFAOYSA-N 2 0 336.783 2.472 20 5 EEBDRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000420337070 239759270 /nfs/dbraw/zinc/75/92/70/239759270.db2.gz JJAPTYGVBXULLT-HNNXBMFYSA-N 2 0 346.431 2.387 20 5 EEBDRP CN1CC[NH+](CC2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000265467909 464570419 /nfs/dbraw/zinc/57/04/19/464570419.db2.gz ZBUMFUOYILXXQM-UHFFFAOYSA-N 2 0 332.448 2.054 20 5 EEBDRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424288166 467021461 /nfs/dbraw/zinc/02/14/61/467021461.db2.gz KJSKKHONCHSEJC-CQSZACIVSA-N 2 0 346.431 2.387 20 5 EEBDRP CN(C)CC[NH+]1CCC(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602546523 469356711 /nfs/dbraw/zinc/35/67/11/469356711.db2.gz VETIXZLUZFRPRN-UHFFFAOYSA-N 2 0 334.464 2.001 20 5 EEBDRP COc1c(O)ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227443 678280689 /nfs/dbraw/zinc/28/06/89/678280689.db2.gz KJNZCNDOJKOHTB-OCCSQVGLSA-N 2 0 335.404 2.225 20 5 EEBDRP Cc1nn(C[N@H+](C)CC2CC[NH+](C)CC2)c2cc([N+](=O)[O-])ccc12 ZINC000121174543 1201579784 /nfs/dbraw/zinc/57/97/84/1201579784.db2.gz SNVODJPWSJAEPJ-UHFFFAOYSA-N 2 0 331.420 2.484 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001254558818 1318121401 /nfs/dbraw/zinc/12/14/01/1318121401.db2.gz VXOREFMADJWJNQ-ZYSHUDEJSA-N 2 0 346.475 2.236 20 5 EEBDRP C[C@@H]1COC[C@H]1[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308948868 1331609690 /nfs/dbraw/zinc/60/96/90/1331609690.db2.gz MWUISQPVFIJPLM-DNVCBOLYSA-N 2 0 347.459 2.474 20 5 EEBDRP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@]1(O)CCC[NH2+]CC1 ZINC001578485273 1403762296 /nfs/dbraw/zinc/76/22/96/1403762296.db2.gz ALVIPAVETFKZRB-OAHLLOKOSA-N 2 0 327.812 2.185 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001168992972 803560634 /nfs/dbraw/zinc/56/06/34/803560634.db2.gz LXBOWUBDUSXMRV-IRXDYDNUSA-N 2 0 332.448 2.329 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC001168992970 803560821 /nfs/dbraw/zinc/56/08/21/803560821.db2.gz LXBOWUBDUSXMRV-DLBZAZTESA-N 2 0 332.448 2.329 20 5 EEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349035610 285282715 /nfs/dbraw/zinc/28/27/15/285282715.db2.gz KFZCSGKVDMKCNS-SFHVURJKSA-N 2 0 334.464 2.443 20 5 EEBDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000120897668 463052358 /nfs/dbraw/zinc/05/23/58/463052358.db2.gz NZQNIVADCCNIHS-GOEBONIOSA-N 2 0 334.464 2.437 20 5 EEBDRP CN(Cc1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371258439 465673705 /nfs/dbraw/zinc/67/37/05/465673705.db2.gz NRFLOKMBOCCGOY-KRWDZBQOSA-N 2 0 332.448 2.195 20 5 EEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1[N+](=O)[O-] ZINC000349038028 465933221 /nfs/dbraw/zinc/93/32/21/465933221.db2.gz URJNDYGZEKBOTM-QGZVFWFLSA-N 2 0 334.464 2.443 20 5 EEBDRP C[N@@H+]1CCCC12CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 ZINC000371693307 465945741 /nfs/dbraw/zinc/94/57/41/465945741.db2.gz PIUXHLAFGRMXCD-UHFFFAOYSA-N 2 0 346.431 2.484 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423538114 466769250 /nfs/dbraw/zinc/76/92/50/466769250.db2.gz FIVKNGPWNZIFQE-IXYNUQLISA-N 2 0 346.431 2.290 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417317338 466832442 /nfs/dbraw/zinc/83/24/42/466832442.db2.gz WIUCWNPXFYSJGK-QGZVFWFLSA-N 2 0 333.432 2.409 20 5 EEBDRP CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000420301026 467344440 /nfs/dbraw/zinc/34/44/40/467344440.db2.gz ACMGFYHLAUABIL-NSHDSACASA-N 2 0 340.811 2.261 20 5 EEBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346185 467371839 /nfs/dbraw/zinc/37/18/39/467371839.db2.gz XPFRRIFGIGDRJB-ILXRZTDVSA-N 2 0 346.431 2.243 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420386655 467389998 /nfs/dbraw/zinc/38/99/98/467389998.db2.gz JDWFRXRPCRKZTO-CRAIPNDOSA-N 2 0 349.431 2.192 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000602516138 469346603 /nfs/dbraw/zinc/34/66/03/469346603.db2.gz IHQLSYIMUIXTDT-HZPDHXFCSA-N 2 0 345.447 2.175 20 5 EEBDRP C[NH+]1CCC(C)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602605981 469382327 /nfs/dbraw/zinc/38/23/27/469382327.db2.gz MNUXANXMSWGCHX-UHFFFAOYSA-N 2 0 347.463 2.280 20 5 EEBDRP COc1cc(N2CCC([NH2+]CC3([NH3+])CCCC3)CC2)ccc1[N+](=O)[O-] ZINC001246076826 1310231080 /nfs/dbraw/zinc/23/10/80/1310231080.db2.gz QZBOZUNYRAGFLB-UHFFFAOYSA-N 2 0 348.447 2.433 20 5 EEBDRP [NH3+]C[C@]1(O)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246548061 1310337357 /nfs/dbraw/zinc/33/73/57/1310337357.db2.gz FIBWTAUHWQBMDL-WMZOPIPTSA-N 2 0 333.432 2.018 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001579642876 1344402457 /nfs/dbraw/zinc/40/24/57/1344402457.db2.gz ZWOXYVUKONXYQB-SUMWQHHRSA-N 2 0 332.404 2.045 20 5 EEBDRP CC1CC[NH+](CCCNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001576731225 1403600456 /nfs/dbraw/zinc/60/04/56/1403600456.db2.gz GVQIUROXTOELEC-SFHVURJKSA-N 2 0 348.447 2.007 20 5 EEBDRP CCOC(=O)CC1([NH3+])CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173229481 797311258 /nfs/dbraw/zinc/31/12/58/797311258.db2.gz VCNJRDFCKVDBKA-AWEZNQCLSA-N 2 0 349.431 2.272 20 5 EEBDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072860940 216320215 /nfs/dbraw/zinc/32/02/15/216320215.db2.gz GYMFDMHNCAHLRM-CQSZACIVSA-N 2 0 334.420 2.197 20 5 EEBDRP C[NH+](C)CC1CC[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC1 ZINC000332323502 311989311 /nfs/dbraw/zinc/98/93/11/311989311.db2.gz RZMRBNCUCFIELI-UHFFFAOYSA-N 2 0 335.404 2.235 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000358496863 465158866 /nfs/dbraw/zinc/15/88/66/465158866.db2.gz KCHQMLPWUGTLJN-UHFFFAOYSA-N 2 0 335.404 2.058 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000423548375 466772150 /nfs/dbraw/zinc/77/21/50/466772150.db2.gz QXNVKDAQKWTSAX-DGADGQDISA-N 2 0 333.436 2.253 20 5 EEBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592489124 468709395 /nfs/dbraw/zinc/70/93/95/468709395.db2.gz RENPHSVPLQATTM-KBPBESRZSA-N 2 0 334.420 2.291 20 5 EEBDRP C[NH+]1CCN(c2cc[nH+]c(NCc3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000601068387 468734297 /nfs/dbraw/zinc/73/42/97/468734297.db2.gz MQCBFJLEXUUKHX-UHFFFAOYSA-N 2 0 327.388 2.354 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593736133 469115995 /nfs/dbraw/zinc/11/59/95/469115995.db2.gz GYCFPVBEHYKKLW-DAYGRLMNSA-N 2 0 349.431 2.192 20 5 EEBDRP CC[N@H+](C)C[C@@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274812 469217797 /nfs/dbraw/zinc/21/77/97/469217797.db2.gz WBQRRHQYESCTAI-ZDUSSCGKSA-N 2 0 335.404 2.140 20 5 EEBDRP CN1CCc2c(NCC[NH+]3CCSCC3)ccc([N+](=O)[O-])c2C1 ZINC001167838360 777052938 /nfs/dbraw/zinc/05/29/38/777052938.db2.gz AVLOXTSTCALZLW-UHFFFAOYSA-N 2 0 336.461 2.043 20 5 EEBDRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000423387989 240464871 /nfs/dbraw/zinc/46/48/71/240464871.db2.gz MJSYXCGRPBDRKE-SMDDNHRTSA-N 2 0 346.353 2.082 20 5 EEBDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369882606 166350096 /nfs/dbraw/zinc/35/00/96/166350096.db2.gz LNNWWMBPEYWIKX-GDBMZVCRSA-N 2 0 332.448 2.414 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423511388 466762561 /nfs/dbraw/zinc/76/25/61/466762561.db2.gz QEKKUWZIQZVBIX-JGGQBBKZSA-N 2 0 329.404 2.135 20 5 EEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376159 467384365 /nfs/dbraw/zinc/38/43/65/467384365.db2.gz JQGKKHTWIRWRKD-TZMCWYRMSA-N 2 0 330.392 2.043 20 5 EEBDRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000592428408 468695265 /nfs/dbraw/zinc/69/52/65/468695265.db2.gz JAWGSAGUCSMZTL-UHFFFAOYSA-N 2 0 344.415 2.192 20 5 EEBDRP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000592438858 468698485 /nfs/dbraw/zinc/69/84/85/468698485.db2.gz PVFPMPQKKXYXHF-UHFFFAOYSA-N 2 0 331.372 2.361 20 5 EEBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592489556 468711023 /nfs/dbraw/zinc/71/10/23/468711023.db2.gz YSWBPXFAGCUPAD-DZGCQCFKSA-N 2 0 334.420 2.291 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000593729523 469113142 /nfs/dbraw/zinc/11/31/42/469113142.db2.gz GNNFPCQKUHVIRF-BPQIPLTHSA-N 2 0 333.432 2.498 20 5 EEBDRP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC[NH+](C)CC1 ZINC000611268532 469215168 /nfs/dbraw/zinc/21/51/68/469215168.db2.gz GFOAUNVDENTMGO-UHFFFAOYSA-N 2 0 335.404 2.140 20 5 EEBDRP Cc1c(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873108785 1198501504 /nfs/dbraw/zinc/50/15/04/1198501504.db2.gz UJWHAFGZYBWLQK-UHFFFAOYSA-N 2 0 334.464 2.409 20 5 EEBDRP C[N@H+](CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000843354196 1315898350 /nfs/dbraw/zinc/89/83/50/1315898350.db2.gz XMXBDLXUXAEXKH-UHFFFAOYSA-N 2 0 340.811 2.388 20 5 EEBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001157101253 1318402903 /nfs/dbraw/zinc/40/29/03/1318402903.db2.gz BZVSUXYCUJJFIT-UHFFFAOYSA-N 2 0 346.366 2.471 20 5 EEBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001336804607 1336597698 /nfs/dbraw/zinc/59/76/98/1336597698.db2.gz NJLLYKKYIIIUEJ-CRAIPNDOSA-N 2 0 333.432 2.340 20 5 EEBDRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577684925 1403668917 /nfs/dbraw/zinc/66/89/17/1403668917.db2.gz PKIDYQYISJWIFY-SUMWQHHRSA-N 2 0 336.436 2.005 20 5 EEBDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001203203563 759697628 /nfs/dbraw/zinc/69/76/28/759697628.db2.gz ODHFGTHBCKBDNH-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809741799 783352001 /nfs/dbraw/zinc/35/20/01/783352001.db2.gz WUSMOVFJSWOFAY-UHFFFAOYSA-N 2 0 328.844 2.173 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168983652 803546817 /nfs/dbraw/zinc/54/68/17/803546817.db2.gz KIGSWTLWLKIBTH-MSOLQXFVSA-N 2 0 347.459 2.049 20 5 EEBDRP COc1ccccc1CC1([NH3+])CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000666 803566005 /nfs/dbraw/zinc/56/60/05/803566005.db2.gz YOVPUASEIJSEPY-RDJZCZTQSA-N 2 0 347.459 2.476 20 5 EEBDRP COc1ccc(CNCc2ncc(CN(C)C)s2)cc1[N+](=O)[O-] ZINC000352771738 162280645 /nfs/dbraw/zinc/28/06/45/162280645.db2.gz NWUUQKXQXKYSHJ-UHFFFAOYSA-N 2 0 336.417 2.411 20 5 EEBDRP COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000414976694 313118634 /nfs/dbraw/zinc/11/86/34/313118634.db2.gz PSRBTUHJUGVGDM-UHFFFAOYSA-N 2 0 327.812 2.354 20 5 EEBDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563549402 319022513 /nfs/dbraw/zinc/02/25/13/319022513.db2.gz REBWRGPNQCNYLJ-KRWDZBQOSA-N 2 0 332.448 2.198 20 5 EEBDRP Cn1cc(C[NH2+][C@H]2CCC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591278591 468437042 /nfs/dbraw/zinc/43/70/42/468437042.db2.gz UQRKYGYTJSDDMX-HNNXBMFYSA-N 2 0 329.404 2.227 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000449300746 467629577 /nfs/dbraw/zinc/62/95/77/467629577.db2.gz FMECEKCGHDVXLF-HNNXBMFYSA-N 2 0 334.464 2.141 20 5 EEBDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000532949799 468154717 /nfs/dbraw/zinc/15/47/17/468154717.db2.gz UJCRCLJTXWKKNQ-UHFFFAOYSA-N 2 0 348.447 2.246 20 5 EEBDRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730768 469113332 /nfs/dbraw/zinc/11/33/32/469113332.db2.gz FKZDVRCJGJTJFO-UKRRQHHQSA-N 2 0 334.420 2.373 20 5 EEBDRP C[C@@H]1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H](C[NH3+])C1 ZINC000852760444 1292190160 /nfs/dbraw/zinc/19/01/60/1292190160.db2.gz ZSYSDGHCIZOJEF-YPMHNXCESA-N 2 0 338.383 2.122 20 5 EEBDRP CC[N@H+]1C[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254483736 1318084676 /nfs/dbraw/zinc/08/46/76/1318084676.db2.gz XGRZDTJLEOSMLM-IYBDPMFKSA-N 2 0 344.459 2.447 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCCC3(CC[NH2+]CC3)C1)OCCO2 ZINC001332358346 1335809581 /nfs/dbraw/zinc/80/95/81/1335809581.db2.gz HXZPDUMYPNXTCL-UHFFFAOYSA-N 2 0 347.415 2.332 20 5 EEBDRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335314992 1336362827 /nfs/dbraw/zinc/36/28/27/1336362827.db2.gz RVDHCPCNKZVWEM-GOSISDBHSA-N 2 0 329.400 2.480 20 5 EEBDRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809741102 783348674 /nfs/dbraw/zinc/34/86/74/783348674.db2.gz IQZUCYWMHKKWMH-UHFFFAOYSA-N 2 0 328.844 2.173 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)c1F ZINC001173178087 797277723 /nfs/dbraw/zinc/27/77/23/797277723.db2.gz ZUVMTHQBUONKSE-VXGBXAGGSA-N 2 0 325.384 2.215 20 5 EEBDRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033665 803578659 /nfs/dbraw/zinc/57/86/59/803578659.db2.gz DEXHSGPMTPHMHQ-OIISXLGYSA-N 2 0 325.453 2.007 20 5 EEBDRP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420344514 239768133 /nfs/dbraw/zinc/76/81/33/239768133.db2.gz TZNZIMNAKKYPNB-KRWDZBQOSA-N 2 0 346.431 2.387 20 5 EEBDRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236825591 242373053 /nfs/dbraw/zinc/37/30/53/242373053.db2.gz NVHGZNMDXWEVER-CQSZACIVSA-N 2 0 343.431 2.427 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000344844878 161250505 /nfs/dbraw/zinc/25/05/05/161250505.db2.gz CSIWDLJHUICMMQ-RBFDBLARSA-N 2 0 332.448 2.224 20 5 EEBDRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1 ZINC000293074117 293118333 /nfs/dbraw/zinc/11/83/33/293118333.db2.gz VROKCBWAJQNYBF-GOSISDBHSA-N 2 0 346.431 2.341 20 5 EEBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293748290 293285640 /nfs/dbraw/zinc/28/56/40/293285640.db2.gz NZGFRRQBDCYQFS-HUUCEWRRSA-N 2 0 349.479 2.101 20 5 EEBDRP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])cc1OC ZINC000414772670 313083630 /nfs/dbraw/zinc/08/36/30/313083630.db2.gz VDVMUOJKBCAGAE-BETUJISGSA-N 2 0 335.404 2.043 20 5 EEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000451991901 467296855 /nfs/dbraw/zinc/29/68/55/467296855.db2.gz TVTJKBVNZDFVAN-UHFFFAOYSA-N 2 0 334.464 2.143 20 5 EEBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333769 467362340 /nfs/dbraw/zinc/36/23/40/467362340.db2.gz FRJNFNFVCOHURL-RBSFLKMASA-N 2 0 346.431 2.243 20 5 EEBDRP C[N@@H+]1CCCC[C@@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000598994829 469080991 /nfs/dbraw/zinc/08/09/91/469080991.db2.gz TYZKKXGZOAMMIC-ZDUSSCGKSA-N 2 0 335.404 2.188 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000602569317 469365089 /nfs/dbraw/zinc/36/50/89/469365089.db2.gz PSCLFLBDDOJGMN-RTBURBONSA-N 2 0 347.459 2.495 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000873011345 1198473903 /nfs/dbraw/zinc/47/39/03/1198473903.db2.gz XFSYTUOTRVLIMS-UHFFFAOYSA-N 2 0 334.464 2.327 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000873044674 1198483405 /nfs/dbraw/zinc/48/34/05/1198483405.db2.gz UXYWKDSFWFBUNY-UHFFFAOYSA-N 2 0 334.464 2.329 20 5 EEBDRP C[N@@H+]1CC[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254475361 1318082099 /nfs/dbraw/zinc/08/20/99/1318082099.db2.gz QHCXMUMSFINBAU-CVEARBPZSA-N 2 0 344.459 2.447 20 5 EEBDRP CC[NH+](CC)CCN1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600654 1318140978 /nfs/dbraw/zinc/14/09/78/1318140978.db2.gz UOEANXZQJTXVMZ-LJQANCHMSA-N 2 0 346.475 2.021 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120924166 292259108 /nfs/dbraw/zinc/25/91/08/292259108.db2.gz ZTIYTQNXSZKDKI-HOCLYGCPSA-N 2 0 334.464 2.437 20 5 EEBDRP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284062230 293025911 /nfs/dbraw/zinc/02/59/11/293025911.db2.gz KWJDTGJGQFAJJG-HNNXBMFYSA-N 2 0 349.479 2.245 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414783850 313087996 /nfs/dbraw/zinc/08/79/96/313087996.db2.gz RGUFKAPYVNPIEV-WMZOPIPTSA-N 2 0 346.475 2.191 20 5 EEBDRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC000580581204 324093287 /nfs/dbraw/zinc/09/32/87/324093287.db2.gz GZKSQRHNANLXLI-MRXNPFEDSA-N 2 0 332.448 2.198 20 5 EEBDRP COc1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000337404094 465349606 /nfs/dbraw/zinc/34/96/06/465349606.db2.gz LUVBFSISAUERAH-INIZCTEOSA-N 2 0 349.431 2.148 20 5 EEBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000185864447 463894078 /nfs/dbraw/zinc/89/40/78/463894078.db2.gz CIQFLKGRCSGLGC-YERXGYGTSA-N 2 0 332.448 2.224 20 5 EEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000449745046 467704879 /nfs/dbraw/zinc/70/48/79/467704879.db2.gz LEVXGMPZDJUPBO-UHFFFAOYSA-N 2 0 338.427 2.240 20 5 EEBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154907280 533840333 /nfs/dbraw/zinc/84/03/33/533840333.db2.gz OXCHGWZGYXBXBZ-MAUKXSAKSA-N 2 0 346.475 2.141 20 5 EEBDRP C[C@@H](C[N+](C)(C)C)Oc1nc2cccc(N3CC[NH+](C)CC3)c2o1 ZINC001230104346 1303060760 /nfs/dbraw/zinc/06/07/60/1303060760.db2.gz XRJBPRVHOVFSIX-AWEZNQCLSA-N 2 0 333.456 2.053 20 5 EEBDRP CC(C)[NH+]1CCN(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254540200 1318116145 /nfs/dbraw/zinc/11/61/45/1318116145.db2.gz QCPDEMNZZHDEEN-MRXNPFEDSA-N 2 0 334.464 2.141 20 5 EEBDRP C[NH+](C)CCOc1cc(NCC23CC[NH+](CC2)CC3)ccc1[N+](=O)[O-] ZINC001169801287 804058019 /nfs/dbraw/zinc/05/80/19/804058019.db2.gz BDDKHNDVCIOWDH-UHFFFAOYSA-N 2 0 348.447 2.433 20 5 EEBDRP C[NH+](C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000040554331 213349062 /nfs/dbraw/zinc/34/90/62/213349062.db2.gz NPOIIRAIYNCTDB-UHFFFAOYSA-N 2 0 349.435 2.085 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423553604 240526793 /nfs/dbraw/zinc/52/67/93/240526793.db2.gz KNPYQAWRHRXYCQ-ZDUSSCGKSA-N 2 0 332.404 2.211 20 5 EEBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]12 ZINC000351498813 465186693 /nfs/dbraw/zinc/18/66/93/465186693.db2.gz VWAJWBVEBNRBLO-FVQBIDKESA-N 2 0 342.399 2.461 20 5 EEBDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192618953 464959075 /nfs/dbraw/zinc/95/90/75/464959075.db2.gz PIIDOKAEOFYFOA-SFHVURJKSA-N 2 0 332.448 2.199 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218376 466698361 /nfs/dbraw/zinc/69/83/61/466698361.db2.gz RXHNJNZNUSFSMK-HZSPNIEDSA-N 2 0 334.420 2.290 20 5 EEBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332475 467362074 /nfs/dbraw/zinc/36/20/74/467362074.db2.gz CZUDLHPXJSXLDR-LSDHHAIUSA-N 2 0 346.431 2.163 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420383977 467388376 /nfs/dbraw/zinc/38/83/76/467388376.db2.gz QZLMPTPTOCAHTA-AEFFLSMTSA-N 2 0 349.431 2.322 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000531959507 468087011 /nfs/dbraw/zinc/08/70/11/468087011.db2.gz LCUQYVNHHFWHPM-LSDHHAIUSA-N 2 0 348.447 2.141 20 5 EEBDRP [NH3+]C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600728248 468638355 /nfs/dbraw/zinc/63/83/55/468638355.db2.gz SQJPCFVERBGXPT-FZMZJTMJSA-N 2 0 347.337 2.433 20 5 EEBDRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000592493550 468710310 /nfs/dbraw/zinc/71/03/10/468710310.db2.gz VFJVPSVDXPHQQX-CABCVRRESA-N 2 0 346.431 2.245 20 5 EEBDRP COc1cc(CNC[C@@H]2CCCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000598994241 469080972 /nfs/dbraw/zinc/08/09/72/469080972.db2.gz HAFRWBPWJPLHFC-ZDUSSCGKSA-N 2 0 337.420 2.434 20 5 EEBDRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733337 469114858 /nfs/dbraw/zinc/11/48/58/469114858.db2.gz LQGJUYXQANKWHL-CJNGLKHVSA-N 2 0 334.420 2.373 20 5 EEBDRP COc1c(O)ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1[N+](=O)[O-] ZINC000894496805 682931017 /nfs/dbraw/zinc/93/10/17/682931017.db2.gz QWFRLEIRIZLJPN-OCCSQVGLSA-N 2 0 335.404 2.225 20 5 EEBDRP C[C@H]1C[NH2+]C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246096762 1310234478 /nfs/dbraw/zinc/23/44/78/1310234478.db2.gz FWSXRWKSTWOWGA-HUUCEWRRSA-N 2 0 332.448 2.399 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)c1F ZINC001173178084 797278098 /nfs/dbraw/zinc/27/80/98/797278098.db2.gz ZUVMTHQBUONKSE-NEPJUHHUSA-N 2 0 325.384 2.215 20 5 EEBDRP CCC[NH+](CCC)CCN1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036787 803580159 /nfs/dbraw/zinc/58/01/59/803580159.db2.gz HIFJHNMVJCOXNY-ROUUACIJSA-N 2 0 340.512 2.171 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342100383 161039470 /nfs/dbraw/zinc/03/94/70/161039470.db2.gz KCOKEZBLBOYXOH-IMJJTQAJSA-N 2 0 346.431 2.291 20 5 EEBDRP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414952019 313113846 /nfs/dbraw/zinc/11/38/46/313113846.db2.gz QKOLWCLQOVKQST-WFASDCNBSA-N 2 0 329.404 2.225 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)cc1 ZINC000594494864 468607854 /nfs/dbraw/zinc/60/78/54/468607854.db2.gz JMNUNRMBWJSRJA-GOSISDBHSA-N 2 0 333.432 2.370 20 5 EEBDRP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001229679248 1302914063 /nfs/dbraw/zinc/91/40/63/1302914063.db2.gz UVDPRGLEZLCXIQ-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[N@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CCC([NH3+])CC1 ZINC000843355001 1315898218 /nfs/dbraw/zinc/89/82/18/1315898218.db2.gz IKOOIKWMHOQPIB-UHFFFAOYSA-N 2 0 331.376 2.347 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000846225937 790093876 /nfs/dbraw/zinc/09/38/76/790093876.db2.gz ROKHKFKVZWXJQC-VMGRFDJRSA-N 2 0 337.395 2.452 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000069028668 215354078 /nfs/dbraw/zinc/35/40/78/215354078.db2.gz NRHFLHHEMWXCFI-UHFFFAOYSA-N 2 0 333.432 2.182 20 5 EEBDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000442780920 242112404 /nfs/dbraw/zinc/11/24/04/242112404.db2.gz OMHOXESJCFJBSA-OLZOCXBDSA-N 2 0 330.388 2.461 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430927152 314592846 /nfs/dbraw/zinc/59/28/46/314592846.db2.gz PTOIEPAJFKRGJL-ZDUSSCGKSA-N 2 0 334.420 2.291 20 5 EEBDRP [NH3+]CCC1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000574406234 320022868 /nfs/dbraw/zinc/02/28/68/320022868.db2.gz LAYFKFIUSKUVCN-UHFFFAOYSA-N 2 0 331.376 2.206 20 5 EEBDRP C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000192822946 465005858 /nfs/dbraw/zinc/00/58/58/465005858.db2.gz DFJHAMCPXBVOSF-BEFAXECRSA-N 2 0 346.475 2.445 20 5 EEBDRP COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000353517541 465948422 /nfs/dbraw/zinc/94/84/22/465948422.db2.gz JAGYSJLSNGCUPK-UHFFFAOYSA-N 2 0 337.420 2.146 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420397564 467394883 /nfs/dbraw/zinc/39/48/83/467394883.db2.gz XNSNXWWICBCQFT-QAPCUYQASA-N 2 0 349.431 2.192 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000447530344 467587918 /nfs/dbraw/zinc/58/79/18/467587918.db2.gz MIHZBBDMESQZPF-XUWVNRHRSA-N 2 0 333.436 2.491 20 5 EEBDRP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000594495876 468609735 /nfs/dbraw/zinc/60/97/35/468609735.db2.gz UDQHJQXIRITOEV-KDOFPFPSSA-N 2 0 344.459 2.340 20 5 EEBDRP Cn1ccnc1[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000559542094 468744918 /nfs/dbraw/zinc/74/49/18/468744918.db2.gz OATZGLAJAWMQTF-ZDUSSCGKSA-N 2 0 343.387 2.146 20 5 EEBDRP CC[C@H]([NH3+])C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001246310931 1310277966 /nfs/dbraw/zinc/27/79/66/1310277966.db2.gz ALQATYGHHXCFCI-JTQLQIEISA-N 2 0 328.363 2.169 20 5 EEBDRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335314993 1336362693 /nfs/dbraw/zinc/36/26/93/1336362693.db2.gz RVDHCPCNKZVWEM-SFHVURJKSA-N 2 0 329.400 2.480 20 5 EEBDRP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@]1(O)CCC[NH2+]CC1 ZINC001578485271 1403760792 /nfs/dbraw/zinc/76/07/92/1403760792.db2.gz ALVIPAVETFKZRB-HNNXBMFYSA-N 2 0 327.812 2.185 20 5 EEBDRP Cc1cc(NC(=[NH2+])NCCCC[NH3+])c([N+](=O)[O-])cc1Br ZINC001167883746 779096755 /nfs/dbraw/zinc/09/67/55/779096755.db2.gz MKDCHDSRBGLXHP-UHFFFAOYSA-N 2 0 344.213 2.341 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)c1F ZINC001173178085 797278046 /nfs/dbraw/zinc/27/80/46/797278046.db2.gz ZUVMTHQBUONKSE-NWDGAFQWSA-N 2 0 325.384 2.215 20 5 EEBDRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000447593701 242293724 /nfs/dbraw/zinc/29/37/24/242293724.db2.gz UMSDQPJAIRBBQY-RDJZCZTQSA-N 2 0 335.448 2.474 20 5 EEBDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370633096 274527695 /nfs/dbraw/zinc/52/76/95/274527695.db2.gz FPWIOGXIASOHNM-HOCLYGCPSA-N 2 0 332.448 2.414 20 5 EEBDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000266507409 276386714 /nfs/dbraw/zinc/38/67/14/276386714.db2.gz CKADCKUYZGBBDX-HZPDHXFCSA-N 2 0 332.448 2.368 20 5 EEBDRP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414780880 313086510 /nfs/dbraw/zinc/08/65/10/313086510.db2.gz MCFQOWUAFCSWIU-LLCTXKFZSA-N 2 0 331.416 2.295 20 5 EEBDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420388151 313949001 /nfs/dbraw/zinc/94/90/01/313949001.db2.gz WWWDVEHQVBSLDZ-MSOLQXFVSA-N 2 0 349.431 2.192 20 5 EEBDRP CC(C)[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000449075314 315412919 /nfs/dbraw/zinc/41/29/19/315412919.db2.gz MQJLSMKCDVLQCH-APWZRJJASA-N 2 0 348.491 2.387 20 5 EEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449080238 315413362 /nfs/dbraw/zinc/41/33/62/315413362.db2.gz UNEFGRRWUMAOOM-HOTGVXAUSA-N 2 0 334.464 2.141 20 5 EEBDRP CC1(C)C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423193809 466694606 /nfs/dbraw/zinc/69/46/06/466694606.db2.gz XCWSLRPDLYCSQN-QGZVFWFLSA-N 2 0 332.448 2.202 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424285022 467022501 /nfs/dbraw/zinc/02/25/01/467022501.db2.gz DWZXEFLMZFRQOP-AWEZNQCLSA-N 2 0 346.431 2.306 20 5 EEBDRP COc1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000420335678 467363467 /nfs/dbraw/zinc/36/34/67/467363467.db2.gz KVBXELSMFKVACV-INIZCTEOSA-N 2 0 349.431 2.446 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420369812 467381403 /nfs/dbraw/zinc/38/14/03/467381403.db2.gz ONPGVSATWXDJMH-PLQHRBFRSA-N 2 0 334.420 2.208 20 5 EEBDRP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591726555 468511248 /nfs/dbraw/zinc/51/12/48/468511248.db2.gz MRTYLJKKDVPPAB-KGLIPLIRSA-N 2 0 332.404 2.140 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593737670 469118164 /nfs/dbraw/zinc/11/81/64/469118164.db2.gz TVQHHFACNIQMLN-IIDMSEBBSA-N 2 0 349.431 2.192 20 5 EEBDRP CC[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602525077 469349825 /nfs/dbraw/zinc/34/98/25/469349825.db2.gz QFXHBONFDNIQRC-HNNXBMFYSA-N 2 0 347.463 2.280 20 5 EEBDRP Cc1nn(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501832 577557094 /nfs/dbraw/zinc/55/70/94/577557094.db2.gz XCVAQDISXBFMIP-CJNGLKHVSA-N 2 0 344.419 2.022 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1F ZINC001246196992 1310257387 /nfs/dbraw/zinc/25/73/87/1310257387.db2.gz JEVNTCXHLZDBIB-VXGBXAGGSA-N 2 0 325.384 2.263 20 5 EEBDRP COc1cc(N2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001246201918 1310259006 /nfs/dbraw/zinc/25/90/06/1310259006.db2.gz YMDXDNYHQZQDAY-AWEZNQCLSA-N 2 0 348.447 2.161 20 5 EEBDRP CC(C)[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001203925317 1321991048 /nfs/dbraw/zinc/99/10/48/1321991048.db2.gz MOUABOFHSVANQL-UHFFFAOYSA-N 2 0 348.447 2.016 20 5 EEBDRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422632968 240167713 /nfs/dbraw/zinc/16/77/13/240167713.db2.gz HMPXUCAXSLCKKI-HZSPNIEDSA-N 2 0 334.420 2.229 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414799211 313092686 /nfs/dbraw/zinc/09/26/86/313092686.db2.gz JXEDUXGOPXKPBV-IOASZLSFSA-N 2 0 334.420 2.419 20 5 EEBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051959612 463055061 /nfs/dbraw/zinc/05/50/61/463055061.db2.gz WCYVBWBSOXGRAS-UHFFFAOYSA-N 2 0 349.431 2.018 20 5 EEBDRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285032199 464433490 /nfs/dbraw/zinc/43/34/90/464433490.db2.gz HUOSWOOBVWLCNE-UONOGXRCSA-N 2 0 336.436 2.329 20 5 EEBDRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000351865474 465406499 /nfs/dbraw/zinc/40/64/99/465406499.db2.gz NLCOYJUXRQWREX-JSGCOSHPSA-N 2 0 330.388 2.461 20 5 EEBDRP CC[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000347224590 466490582 /nfs/dbraw/zinc/49/05/82/466490582.db2.gz VANHBWDWPXGXQA-UHFFFAOYSA-N 2 0 337.420 2.434 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338674 466722482 /nfs/dbraw/zinc/72/24/82/466722482.db2.gz UTRQCUNOJMMANW-GUYCJALGSA-N 2 0 334.420 2.291 20 5 EEBDRP CN1CCN(C)[C@@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417317854 466832253 /nfs/dbraw/zinc/83/22/53/466832253.db2.gz XNHRUVGIDKPPPI-WMZOPIPTSA-N 2 0 332.448 2.198 20 5 EEBDRP Cc1c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000420327115 467358687 /nfs/dbraw/zinc/35/86/87/467358687.db2.gz DAPYMCARGKHDGC-SOUVJXGZSA-N 2 0 346.431 2.162 20 5 EEBDRP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420342848 467369132 /nfs/dbraw/zinc/36/91/32/467369132.db2.gz QBQLEDXBXFKMMN-GJZGRUSLSA-N 2 0 346.431 2.245 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430551044 467438217 /nfs/dbraw/zinc/43/82/17/467438217.db2.gz PNNYZNDYDRUQJL-UONOGXRCSA-N 2 0 334.420 2.291 20 5 EEBDRP COc1cc(CN2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931570 467478018 /nfs/dbraw/zinc/47/80/18/467478018.db2.gz XDMDSGIGJKKJNJ-MWLCHTKSSA-N 2 0 345.346 2.374 20 5 EEBDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000594495878 468609277 /nfs/dbraw/zinc/60/92/77/468609277.db2.gz UDQHJQXIRITOEV-KSSFIOAISA-N 2 0 344.459 2.340 20 5 EEBDRP C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1CCO ZINC000601170454 468769174 /nfs/dbraw/zinc/76/91/74/468769174.db2.gz ARQAPNKJQJDQMX-BETUJISGSA-N 2 0 330.388 2.034 20 5 EEBDRP O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000592984987 468834063 /nfs/dbraw/zinc/83/40/63/468834063.db2.gz YMSFMAGDEZOFCH-OAHLLOKOSA-N 2 0 333.436 2.256 20 5 EEBDRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730769 469113097 /nfs/dbraw/zinc/11/30/97/469113097.db2.gz FKZDVRCJGJTJFO-ZFWWWQNUSA-N 2 0 334.420 2.373 20 5 EEBDRP C[C@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000892930024 683205270 /nfs/dbraw/zinc/20/52/70/683205270.db2.gz ZWCYZMBBDDBKQY-CYBMUJFWSA-N 2 0 340.855 2.221 20 5 EEBDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001202217160 1289943207 /nfs/dbraw/zinc/94/32/07/1289943207.db2.gz KYLXFNRZEOAQJL-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[C@H](C[N+](C)(C)C)Oc1nc2cccc(N3CC[NH+](C)CC3)c2o1 ZINC001230104353 1303061304 /nfs/dbraw/zinc/06/13/04/1303061304.db2.gz XRJBPRVHOVFSIX-CQSZACIVSA-N 2 0 333.456 2.053 20 5 EEBDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001203437518 781579382 /nfs/dbraw/zinc/57/93/82/781579382.db2.gz MVFQNMKTJXESRR-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[N@H+](CC1CC[NH+](C)CC1)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000103461971 804213395 /nfs/dbraw/zinc/21/33/95/804213395.db2.gz OMZFCHBLOWWSOH-UHFFFAOYSA-N 2 0 344.419 2.084 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342098314 161039495 /nfs/dbraw/zinc/03/94/95/161039495.db2.gz IFJVEFUKVLMYNH-CWRNSKLLSA-N 2 0 346.431 2.291 20 5 EEBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740360 293283915 /nfs/dbraw/zinc/28/39/15/293283915.db2.gz NNJNXSMVIWTETD-UKRRQHHQSA-N 2 0 336.436 2.065 20 5 EEBDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420386656 313947858 /nfs/dbraw/zinc/94/78/58/313947858.db2.gz JDWFRXRPCRKZTO-MAUKXSAKSA-N 2 0 349.431 2.192 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)C1CC1 ZINC000151794957 463592594 /nfs/dbraw/zinc/59/25/94/463592594.db2.gz QYPYNKMCAAYEMC-SFHVURJKSA-N 2 0 347.459 2.210 20 5 EEBDRP COc1cc(CN2CC[C@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931569 467477969 /nfs/dbraw/zinc/47/79/69/467477969.db2.gz XDMDSGIGJKKJNJ-KOLCDFICSA-N 2 0 345.346 2.374 20 5 EEBDRP C[NH+](C)CCOCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000447593702 467587771 /nfs/dbraw/zinc/58/77/71/467587771.db2.gz UMSDQPJAIRBBQY-WBVHZDCISA-N 2 0 335.448 2.474 20 5 EEBDRP CC[NH2+]CC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000592427823 468695708 /nfs/dbraw/zinc/69/57/08/468695708.db2.gz KAXAQZQDPKVHCF-UHFFFAOYSA-N 2 0 335.404 2.188 20 5 EEBDRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593316068 468936759 /nfs/dbraw/zinc/93/67/59/468936759.db2.gz QDRKHXIFKZCBJJ-MPGHIAIKSA-N 2 0 349.431 2.322 20 5 EEBDRP C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595905509 469075745 /nfs/dbraw/zinc/07/57/45/469075745.db2.gz UJDXMYYTUXGWKR-IUODEOHRSA-N 2 0 334.420 2.033 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000616008144 469352976 /nfs/dbraw/zinc/35/29/76/469352976.db2.gz PDPGZPPDZVSSBB-NUEKZKHPSA-N 2 0 333.436 2.349 20 5 EEBDRP C[C@H](C[N+](C)(C)C)Oc1n[nH]c2c1CCN(Cc1ccccc1)C2 ZINC001226706928 1301516944 /nfs/dbraw/zinc/51/69/44/1301516944.db2.gz QWKLNBJAPUCWPQ-OAHLLOKOSA-N 2 0 329.468 2.442 20 5 EEBDRP [NH3+]CCc1ccc(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 ZINC000841032161 1315459330 /nfs/dbraw/zinc/45/93/30/1315459330.db2.gz NMSPOYDQDLNNLN-UHFFFAOYSA-N 2 0 343.383 2.157 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000843356016 1315898469 /nfs/dbraw/zinc/89/84/69/1315898469.db2.gz AUBPEPIVRGUCDO-UHFFFAOYSA-N 2 0 332.448 2.497 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247300374 160319329 /nfs/dbraw/zinc/31/93/29/160319329.db2.gz UQNZSOBPFIXRIX-YOEHRIQHSA-N 2 0 346.431 2.258 20 5 EEBDRP CC1(C)C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423193808 273589105 /nfs/dbraw/zinc/58/91/05/273589105.db2.gz XCWSLRPDLYCSQN-KRWDZBQOSA-N 2 0 332.448 2.202 20 5 EEBDRP COc1ccc(OCC[NH+]2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000441187212 315172901 /nfs/dbraw/zinc/17/29/01/315172901.db2.gz ZJVMHWHXZNCLTJ-UHFFFAOYSA-N 2 0 337.420 2.256 20 5 EEBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449130803 315420926 /nfs/dbraw/zinc/42/09/26/315420926.db2.gz HWXNUVGUOSDLDU-DLBZAZTESA-N 2 0 348.491 2.389 20 5 EEBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577413555 320254731 /nfs/dbraw/zinc/25/47/31/320254731.db2.gz YHTUFEXLDVZARE-MAUKXSAKSA-N 2 0 346.475 2.445 20 5 EEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000299730139 465874109 /nfs/dbraw/zinc/87/41/09/465874109.db2.gz WYGWDQSYLNOFMT-QGZVFWFLSA-N 2 0 348.447 2.083 20 5 EEBDRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374175817 467024643 /nfs/dbraw/zinc/02/46/43/467024643.db2.gz RVVDGKXFKKDJCT-QGZVFWFLSA-N 2 0 333.432 2.436 20 5 EEBDRP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435371084 467463049 /nfs/dbraw/zinc/46/30/49/467463049.db2.gz SJMJOODOUVMEMN-ZDUSSCGKSA-N 2 0 329.404 2.166 20 5 EEBDRP CN1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)[C@H](C[NH3+])C1 ZINC000514725534 467951227 /nfs/dbraw/zinc/95/12/27/467951227.db2.gz AETHKGLYEKCLRG-OAHLLOKOSA-N 2 0 346.456 2.398 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@@H]3CCC[NH2+]3)CC1)OCCO2 ZINC000592424327 468694600 /nfs/dbraw/zinc/69/46/00/468694600.db2.gz HIVNTYFJACACTF-HNNXBMFYSA-N 2 0 347.415 2.330 20 5 EEBDRP COc1c(O)ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1[N+](=O)[O-] ZINC000894496806 682931157 /nfs/dbraw/zinc/93/11/57/682931157.db2.gz QWFRLEIRIZLJPN-TZMCWYRMSA-N 2 0 335.404 2.225 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000873140108 1198511232 /nfs/dbraw/zinc/51/12/32/1198511232.db2.gz JNCCISVJDVAVEM-UHFFFAOYSA-N 2 0 334.464 2.281 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931440545 1207381350 /nfs/dbraw/zinc/38/13/50/1207381350.db2.gz JMDQIQHVRLUCHU-CABCVRRESA-N 2 0 346.431 2.115 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001336802053 1336597419 /nfs/dbraw/zinc/59/74/19/1336597419.db2.gz AOKOHMRFBMQASB-CRAIPNDOSA-N 2 0 333.432 2.340 20 5 EEBDRP C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@@H]1C[NH3+] ZINC001576811219 1344064451 /nfs/dbraw/zinc/06/44/51/1344064451.db2.gz CRZJFWYKJBVTLA-DGCLKSJQSA-N 2 0 331.376 2.062 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)C1 ZINC001168983443 803546962 /nfs/dbraw/zinc/54/69/62/803546962.db2.gz KFDQSLSVDSPWGP-MSOLQXFVSA-N 2 0 339.480 2.160 20 5 EEBDRP COc1cccc(C2([NH3+])CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168999808 803565120 /nfs/dbraw/zinc/56/51/20/803565120.db2.gz VZJSWPUAZMUDGN-ZBFHGGJFSA-N 2 0 333.432 2.390 20 5 EEBDRP [NH3+]C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414780876 313086777 /nfs/dbraw/zinc/08/67/77/313086777.db2.gz MCFQOWUAFCSWIU-IMMZDGJCSA-N 2 0 331.416 2.295 20 5 EEBDRP C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000564854251 319118718 /nfs/dbraw/zinc/11/87/18/319118718.db2.gz MXOAXYFHRTWHPD-ZDUSSCGKSA-N 2 0 336.436 2.489 20 5 EEBDRP Cn1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261647550 463814257 /nfs/dbraw/zinc/81/42/57/463814257.db2.gz GYMJBPYUNQKICU-KRWDZBQOSA-N 2 0 329.404 2.166 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420418655 467402352 /nfs/dbraw/zinc/40/23/52/467402352.db2.gz XCMJOMDSNGFMLT-OCCSQVGLSA-N 2 0 334.420 2.149 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430551046 467438226 /nfs/dbraw/zinc/43/82/26/467438226.db2.gz PNNYZNDYDRUQJL-ZIAGYGMSSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471292 468705690 /nfs/dbraw/zinc/70/56/90/468705690.db2.gz ROCRNOZNAARGMP-UHFFFAOYSA-N 2 0 346.431 2.448 20 5 EEBDRP Cc1c(NC(=O)[C@H](C)N2CCC(CC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000584475026 468881170 /nfs/dbraw/zinc/88/11/70/468881170.db2.gz RJONQWVEBQSBBW-ZDUSSCGKSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1nn(C[NH+]2CCC(C[NH+](C)C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000765006383 577492634 /nfs/dbraw/zinc/49/26/34/577492634.db2.gz LWXPVOGXBDOAMJ-UHFFFAOYSA-N 2 0 331.420 2.484 20 5 EEBDRP Cc1c(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873043988 1198482355 /nfs/dbraw/zinc/48/23/55/1198482355.db2.gz YQFXCGCEWZSEJS-UHFFFAOYSA-N 2 0 334.464 2.266 20 5 EEBDRP C[NH+](C)CCCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001228888495 1302506182 /nfs/dbraw/zinc/50/61/82/1302506182.db2.gz HARCMDXYLHNTHJ-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922578 797153218 /nfs/dbraw/zinc/15/32/18/797153218.db2.gz YRJBVNZPFHTEKW-SFHVURJKSA-N 2 0 346.475 2.021 20 5 EEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001173213246 797315560 /nfs/dbraw/zinc/31/55/60/797315560.db2.gz HFRKYHYDDGKOFM-HNNXBMFYSA-N 2 0 334.464 2.141 20 5 EEBDRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC001176930843 798633948 /nfs/dbraw/zinc/63/39/48/798633948.db2.gz RJDHYRFRTPLCRD-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001168992536 803560145 /nfs/dbraw/zinc/56/01/45/803560145.db2.gz KNLASRZRSJVKBW-MSOLQXFVSA-N 2 0 332.448 2.329 20 5 EEBDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369882607 166350164 /nfs/dbraw/zinc/35/01/64/166350164.db2.gz LNNWWMBPEYWIKX-GOEBONIOSA-N 2 0 332.448 2.414 20 5 EEBDRP CCOC(=O)C1([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000422747396 466682709 /nfs/dbraw/zinc/68/27/09/466682709.db2.gz YKQJOJLVIFUINQ-AWEZNQCLSA-N 2 0 349.431 2.048 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000593314749 468936639 /nfs/dbraw/zinc/93/66/39/468936639.db2.gz HGILOFZQGXNKCO-CKEIUWERSA-N 2 0 337.395 2.452 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000616008145 469353295 /nfs/dbraw/zinc/35/32/95/469353295.db2.gz PDPGZPPDZVSSBB-VNQPRFMTSA-N 2 0 333.436 2.349 20 5 EEBDRP C[NH+](C)CC1(CNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001578412459 1403749036 /nfs/dbraw/zinc/74/90/36/1403749036.db2.gz MXZQUGMAPUONPK-QGZVFWFLSA-N 2 0 348.447 2.007 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278606012 274382376 /nfs/dbraw/zinc/38/23/76/274382376.db2.gz ATVBJVPYQZDHHK-MRXNPFEDSA-N 2 0 333.432 2.364 20 5 EEBDRP Cc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000289382618 275112638 /nfs/dbraw/zinc/11/26/38/275112638.db2.gz CSIPJSSMQKTPEF-UHFFFAOYSA-N 2 0 346.475 2.363 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000414773580 313084454 /nfs/dbraw/zinc/08/44/54/313084454.db2.gz AKMGKYKNKLZXEU-JVEBIPGUSA-N 2 0 331.416 2.436 20 5 EEBDRP CC(C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000563417306 319009077 /nfs/dbraw/zinc/00/90/77/319009077.db2.gz LMMSKYNRNNTDIS-IEBWSBKVSA-N 2 0 346.475 2.444 20 5 EEBDRP Cc1c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000577166068 320237759 /nfs/dbraw/zinc/23/77/59/320237759.db2.gz QAHHCVWYKLJAFY-WBVHZDCISA-N 2 0 331.416 2.104 20 5 EEBDRP C[N@@H+]1CCC[C@@H]2CN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC[C@@H]21 ZINC000158847214 463255729 /nfs/dbraw/zinc/25/57/29/463255729.db2.gz VDSIWVPGORJGLG-DYVFJYSZSA-N 2 0 347.415 2.377 20 5 EEBDRP Cn1cc(C[NH+]2CCC(C[NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435375213 467463862 /nfs/dbraw/zinc/46/38/62/467463862.db2.gz UBFBDEOIIZCAOK-UHFFFAOYSA-N 2 0 329.404 2.166 20 5 EEBDRP C[NH+]1CCC(N2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000602529265 469351674 /nfs/dbraw/zinc/35/16/74/469351674.db2.gz ALZSHVRHEQYETE-UHFFFAOYSA-N 2 0 346.475 2.286 20 5 EEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000185878763 533918644 /nfs/dbraw/zinc/91/86/44/533918644.db2.gz FCTOCERBXDDLOQ-CYBMUJFWSA-N 2 0 340.855 2.364 20 5 EEBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877074078 1199858290 /nfs/dbraw/zinc/85/82/90/1199858290.db2.gz ZAUIKVMQFVTYTQ-HZPDHXFCSA-N 2 0 347.463 2.421 20 5 EEBDRP Cc1c(NC(=O)CC[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000931441354 1207381756 /nfs/dbraw/zinc/38/17/56/1207381756.db2.gz RNIWPZDGMCJKDG-CABCVRRESA-N 2 0 346.431 2.115 20 5 EEBDRP C[N+](C)(C)C[C@H](O)CC(=O)Oc1cccc(C[NH+]2CCCCC2)c1 ZINC001229448906 1302786553 /nfs/dbraw/zinc/78/65/53/1302786553.db2.gz QEDDODVMEFUZCK-QGZVFWFLSA-N 2 0 335.468 2.035 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(C[NH3+])CC2)c1F ZINC001246540106 1310335268 /nfs/dbraw/zinc/33/52/68/1310335268.db2.gz VEOLYMDRJRYUSP-NSHDSACASA-N 2 0 325.384 2.344 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+][C@H]3C[C@@H](CO)C3)CC2)cc1 ZINC001308899806 1331608011 /nfs/dbraw/zinc/60/80/11/1331608011.db2.gz LRWLQHYVAMDDIQ-HDICACEKSA-N 2 0 347.459 2.210 20 5 EEBDRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000422786722 240225494 /nfs/dbraw/zinc/22/54/94/240225494.db2.gz LHRSTAOEWFRQFO-CQSZACIVSA-N 2 0 349.431 2.048 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423538112 279247167 /nfs/dbraw/zinc/24/71/67/279247167.db2.gz FIVKNGPWNZIFQE-HGTKMLMNSA-N 2 0 346.431 2.290 20 5 EEBDRP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000414787171 313089146 /nfs/dbraw/zinc/08/91/46/313089146.db2.gz VEGYVFNINUGTMP-UONOGXRCSA-N 2 0 349.431 2.434 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000563950736 319058665 /nfs/dbraw/zinc/05/86/65/319058665.db2.gz MSAJSVFPGXYGTI-MRXNPFEDSA-N 2 0 329.404 2.007 20 5 EEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000139826252 463333198 /nfs/dbraw/zinc/33/31/98/463333198.db2.gz QAITVPCUPNIGJA-PBHICJAKSA-N 2 0 346.431 2.340 20 5 EEBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000579943883 468439109 /nfs/dbraw/zinc/43/91/09/468439109.db2.gz WQDNWEGZSKLYAH-AWEZNQCLSA-N 2 0 334.420 2.245 20 5 EEBDRP CN(Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371258440 465672523 /nfs/dbraw/zinc/67/25/23/465672523.db2.gz NRFLOKMBOCCGOY-QGZVFWFLSA-N 2 0 332.448 2.195 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343726 467370705 /nfs/dbraw/zinc/37/07/05/467370705.db2.gz RCHZBNUWXZKYCX-GJZGRUSLSA-N 2 0 346.431 2.163 20 5 EEBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420347069 467372377 /nfs/dbraw/zinc/37/23/77/467372377.db2.gz ZXPMGKCKGNDNQG-ILXRZTDVSA-N 2 0 346.431 2.243 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346710 467372438 /nfs/dbraw/zinc/37/24/38/467372438.db2.gz XGVGPJSUVFUGQZ-GASCZTMLSA-N 2 0 346.431 2.163 20 5 EEBDRP Cn1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414837115 467436106 /nfs/dbraw/zinc/43/61/06/467436106.db2.gz KAWVVWSCDKYFGQ-CQSZACIVSA-N 2 0 343.431 2.475 20 5 EEBDRP Cc1cc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450785639 467907790 /nfs/dbraw/zinc/90/77/90/467907790.db2.gz BJOHSWODPJZTHX-GASCZTMLSA-N 2 0 342.399 2.148 20 5 EEBDRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccccc3[N+](=O)[O-])c2)CC1 ZINC000601150964 468762649 /nfs/dbraw/zinc/76/26/49/468762649.db2.gz KCZNGOAKJSHIAU-UHFFFAOYSA-N 2 0 327.388 2.354 20 5 EEBDRP COc1cc(C)nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1[N+](=O)[O-] ZINC001160945792 1320326628 /nfs/dbraw/zinc/32/66/28/1320326628.db2.gz MKMBXSKSBDORDR-UHFFFAOYSA-N 2 0 327.344 2.147 20 5 EEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001173230917 797311444 /nfs/dbraw/zinc/31/14/44/797311444.db2.gz WFHLEJRZZHUNRD-CQSZACIVSA-N 2 0 333.432 2.226 20 5 EEBDRP CC1(C)C[C@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C[C@](C)(C[NH3+])C1 ZINC001169142097 803633928 /nfs/dbraw/zinc/63/39/28/803633928.db2.gz FZTQORORDZJPKR-SJCJKPOMSA-N 2 0 348.451 2.027 20 5 EEBDRP COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000342106111 161040090 /nfs/dbraw/zinc/04/00/90/161040090.db2.gz OUSVOUOAKKTCHB-CFVMTHIKSA-N 2 0 335.404 2.041 20 5 EEBDRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000375233552 167093635 /nfs/dbraw/zinc/09/36/35/167093635.db2.gz KRVVJKAPKPZCQU-UHFFFAOYSA-N 2 0 346.475 2.444 20 5 EEBDRP Cn1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414936888 313112467 /nfs/dbraw/zinc/11/24/67/313112467.db2.gz ZNILCBLSWDOAQM-CABCVRRESA-N 2 0 329.404 2.355 20 5 EEBDRP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000150790754 463428895 /nfs/dbraw/zinc/42/88/95/463428895.db2.gz XPICWYCRZJXGEY-HNNXBMFYSA-N 2 0 346.431 2.341 20 5 EEBDRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000344633892 465737493 /nfs/dbraw/zinc/73/74/93/465737493.db2.gz BLYYBEYLBHTKRG-ALCCZGGFSA-N 2 0 333.432 2.433 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423255290 466704635 /nfs/dbraw/zinc/70/46/35/466704635.db2.gz BNMFDOSKKJNTRH-UONOGXRCSA-N 2 0 334.420 2.291 20 5 EEBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346191 467371795 /nfs/dbraw/zinc/37/17/95/467371795.db2.gz XPFRRIFGIGDRJB-RBSFLKMASA-N 2 0 346.431 2.243 20 5 EEBDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420397560 467395283 /nfs/dbraw/zinc/39/52/83/467395283.db2.gz XNSNXWWICBCQFT-MAUKXSAKSA-N 2 0 349.431 2.192 20 5 EEBDRP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC[NH2+]CC1 ZINC000430629104 467452177 /nfs/dbraw/zinc/45/21/77/467452177.db2.gz PQABEVFJXHXBDL-UHFFFAOYSA-N 2 0 330.388 2.476 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001163128402 1321044505 /nfs/dbraw/zinc/04/45/05/1321044505.db2.gz JYHSFGPENZAIBF-UHFFFAOYSA-N 2 0 338.412 2.055 20 5 EEBDRP CC(C)(C(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001163833854 1321229265 /nfs/dbraw/zinc/22/92/65/1321229265.db2.gz SSTYJYGLMKNANT-UHFFFAOYSA-N 2 0 348.447 2.065 20 5 EEBDRP COc1ccccc1CC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000665 803565848 /nfs/dbraw/zinc/56/58/48/803565848.db2.gz YOVPUASEIJSEPY-NVXWUHKLSA-N 2 0 347.459 2.476 20 5 EEBDRP COc1ccc(C2([NH3+])CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169006344 803568105 /nfs/dbraw/zinc/56/81/05/803568105.db2.gz XOVWAZKBNFIGLB-ZBFHGGJFSA-N 2 0 333.432 2.390 20 5 EEBDRP C[N@@H+]1CCCC12CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])CC2 ZINC000374988309 167079709 /nfs/dbraw/zinc/07/97/09/167079709.db2.gz NRAKJYAUOXCYGU-UHFFFAOYSA-N 2 0 346.431 2.484 20 5 EEBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423465461 303365040 /nfs/dbraw/zinc/36/50/40/303365040.db2.gz RZRQWZVHNGAHKO-CVZHDLGWSA-N 2 0 333.436 2.381 20 5 EEBDRP Cc1c([C@@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000120925301 463054630 /nfs/dbraw/zinc/05/46/30/463054630.db2.gz IISRQRZFRZYURS-GOEBONIOSA-N 2 0 334.464 2.437 20 5 EEBDRP C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367026824 466080135 /nfs/dbraw/zinc/08/01/35/466080135.db2.gz DDCPDWHIKUAGFS-LPHOPBHVSA-N 2 0 346.475 2.095 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000423466814 466753983 /nfs/dbraw/zinc/75/39/83/466753983.db2.gz TYFHSAZIHJGPSA-RDBSUJKOSA-N 2 0 334.420 2.419 20 5 EEBDRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000430660710 467456533 /nfs/dbraw/zinc/45/65/33/467456533.db2.gz DUXLINASPDLVDH-AWEZNQCLSA-N 2 0 334.420 2.163 20 5 EEBDRP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415100451 467488992 /nfs/dbraw/zinc/48/89/92/467488992.db2.gz AIYKZQLBINJBHW-MAUKXSAKSA-N 2 0 349.431 2.322 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000449191568 467622519 /nfs/dbraw/zinc/62/25/19/467622519.db2.gz PKKIMMZNFARVTM-ZMYBRWDISA-N 2 0 347.459 2.493 20 5 EEBDRP C[N@H+](CCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602689622 469013935 /nfs/dbraw/zinc/01/39/35/469013935.db2.gz WICYNQFCUIDJCA-UHFFFAOYSA-N 2 0 347.463 2.423 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593735073 469116523 /nfs/dbraw/zinc/11/65/23/469116523.db2.gz XLEWUROJBPJFRH-KSSFIOAISA-N 2 0 346.431 2.293 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000602516140 469346891 /nfs/dbraw/zinc/34/68/91/469346891.db2.gz IHQLSYIMUIXTDT-JKSUJKDBSA-N 2 0 345.447 2.175 20 5 EEBDRP O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903752594 1241833209 /nfs/dbraw/zinc/83/32/09/1241833209.db2.gz ODPYEDKBMAZILD-ROUUACIJSA-N 2 0 331.416 2.328 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)c1F ZINC001246476655 1310318798 /nfs/dbraw/zinc/31/87/98/1310318798.db2.gz LFNNSPIUPLNKHQ-MDZLAQPJSA-N 2 0 343.374 2.211 20 5 EEBDRP COc1ccc(C[C@@H](C)[NH+]2CCC(F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246626006 1310360068 /nfs/dbraw/zinc/36/00/68/1310360068.db2.gz JBIVGJKNQXUSEZ-GFCCVEGCSA-N 2 0 325.384 2.297 20 5 EEBDRP [NH3+]C[C@]1(O)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205240948 1322327199 /nfs/dbraw/zinc/32/71/99/1322327199.db2.gz POYAUZXVQNRVQH-FQEVSTJZSA-N 2 0 336.439 2.459 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH3+])[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913442 797172091 /nfs/dbraw/zinc/17/20/91/797172091.db2.gz VWUODQZPCURRAG-GOSISDBHSA-N 2 0 348.491 2.445 20 5 EEBDRP COc1cc[nH+]c(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)c1 ZINC001169050623 803595427 /nfs/dbraw/zinc/59/54/27/803595427.db2.gz BYXCTJKCELJIIH-UKRRQHHQSA-N 2 0 334.420 2.094 20 5 EEBDRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000266507411 285334198 /nfs/dbraw/zinc/33/41/98/285334198.db2.gz CKADCKUYZGBBDX-JKSUJKDBSA-N 2 0 332.448 2.368 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000120924009 292258945 /nfs/dbraw/zinc/25/89/45/292258945.db2.gz ZTIYTQNXSZKDKI-GOEBONIOSA-N 2 0 334.464 2.437 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000344791877 161246207 /nfs/dbraw/zinc/24/62/07/161246207.db2.gz LHOKOLREJUGFCG-ABPVARSCSA-N 2 0 346.475 2.471 20 5 EEBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000351498815 465187431 /nfs/dbraw/zinc/18/74/31/465187431.db2.gz VWAJWBVEBNRBLO-VNQPRFMTSA-N 2 0 342.399 2.461 20 5 EEBDRP CCOc1cc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000339429117 465266101 /nfs/dbraw/zinc/26/61/01/465266101.db2.gz WETUXWPFTJHYGJ-UHFFFAOYSA-N 2 0 348.447 2.115 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000114198736 462631964 /nfs/dbraw/zinc/63/19/64/462631964.db2.gz ZQCOPPYRWZNTCE-AWEZNQCLSA-N 2 0 334.420 2.115 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000371295404 465692839 /nfs/dbraw/zinc/69/28/39/465692839.db2.gz RDHINXIRHSGJCS-FGTMMUONSA-N 2 0 333.432 2.321 20 5 EEBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333760 467362571 /nfs/dbraw/zinc/36/25/71/467362571.db2.gz FRJNFNFVCOHURL-KFWWJZLASA-N 2 0 346.431 2.243 20 5 EEBDRP COc1ccc(OCC[N@H+](C)CC[C@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430584332 467445528 /nfs/dbraw/zinc/44/55/28/467445528.db2.gz PCCKNYOXDWPQEP-AWEZNQCLSA-N 2 0 325.409 2.287 20 5 EEBDRP [NH3+]C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000415115336 467493305 /nfs/dbraw/zinc/49/33/05/467493305.db2.gz ULXVYIMVIYEMAY-CQSZACIVSA-N 2 0 331.372 2.404 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000449122425 467619747 /nfs/dbraw/zinc/61/97/47/467619747.db2.gz LIJNJNHYPMYUQJ-WBVHZDCISA-N 2 0 335.448 2.208 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000449224655 467624368 /nfs/dbraw/zinc/62/43/68/467624368.db2.gz RFIYGJOAZXGGBD-HNNXBMFYSA-N 2 0 334.464 2.141 20 5 EEBDRP [NH3+]C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600728250 468638067 /nfs/dbraw/zinc/63/80/67/468638067.db2.gz SQJPCFVERBGXPT-RISCZKNCSA-N 2 0 347.337 2.433 20 5 EEBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000583944875 468777165 /nfs/dbraw/zinc/77/71/65/468777165.db2.gz ZHYAGRCIYSSTGU-RHSMWYFYSA-N 2 0 333.432 2.409 20 5 EEBDRP COc1c(O)ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227798 678280858 /nfs/dbraw/zinc/28/08/58/678280858.db2.gz KJNZCNDOJKOHTB-TZMCWYRMSA-N 2 0 335.404 2.225 20 5 EEBDRP CC[NH+](CC)CCN1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600653 1318141087 /nfs/dbraw/zinc/14/10/87/1318141087.db2.gz UOEANXZQJTXVMZ-IBGZPJMESA-N 2 0 346.475 2.021 20 5 EEBDRP C[C@H](N[C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001576235473 1343986271 /nfs/dbraw/zinc/98/62/71/1343986271.db2.gz UVFPMOJGZCNFBF-ZEGGKSINSA-N 2 0 340.811 2.291 20 5 EEBDRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423382271 240461748 /nfs/dbraw/zinc/46/17/48/240461748.db2.gz IJUYLDMCDYQUCH-FZMZJTMJSA-N 2 0 346.353 2.082 20 5 EEBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCC[NH+]1CCCC1 ZINC000281252002 464386398 /nfs/dbraw/zinc/38/63/98/464386398.db2.gz GWZUKFDAZTVROU-CQSZACIVSA-N 2 0 334.420 2.340 20 5 EEBDRP Cc1cc(N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450790755 467908396 /nfs/dbraw/zinc/90/83/96/467908396.db2.gz HBIABNLFVUNQEK-OKILXGFUSA-N 2 0 344.415 2.343 20 5 EEBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488739 468709506 /nfs/dbraw/zinc/70/95/06/468709506.db2.gz MWPQWJCLTGDGDR-DZGCQCFKSA-N 2 0 334.420 2.291 20 5 EEBDRP CCN1CC[NH+](CCCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602511975 469344793 /nfs/dbraw/zinc/34/47/93/469344793.db2.gz TUXNXTLKIOBHRN-UHFFFAOYSA-N 2 0 334.464 2.145 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1F ZINC001246196988 1310257544 /nfs/dbraw/zinc/25/75/44/1310257544.db2.gz JEVNTCXHLZDBIB-NWDGAFQWSA-N 2 0 325.384 2.263 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246983358 1310489315 /nfs/dbraw/zinc/48/93/15/1310489315.db2.gz FOJMJBILKXDHLL-WBVHZDCISA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@@H]1COC[C@@H]1[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308948867 1331609140 /nfs/dbraw/zinc/60/91/40/1331609140.db2.gz MWUISQPVFIJPLM-BEFAXECRSA-N 2 0 347.459 2.474 20 5 EEBDRP [NH3+][C@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C12CCOCC2 ZINC001580162779 1403840249 /nfs/dbraw/zinc/84/02/49/1403840249.db2.gz FPICKKIEKGRUCA-LSDHHAIUSA-N 2 0 339.823 2.277 20 5 EEBDRP CSC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+](C)CC1 ZINC000819320970 785526018 /nfs/dbraw/zinc/52/60/18/785526018.db2.gz IWULYFDFAOVPQE-OAHLLOKOSA-N 2 0 339.461 2.045 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000344844882 161250642 /nfs/dbraw/zinc/25/06/42/161250642.db2.gz CSIWDLJHUICMMQ-SFKKXYGYSA-N 2 0 332.448 2.224 20 5 EEBDRP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414952017 313113751 /nfs/dbraw/zinc/11/37/51/313113751.db2.gz QKOLWCLQOVKQST-SWLSCSKDSA-N 2 0 329.404 2.225 20 5 EEBDRP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000563950735 319058606 /nfs/dbraw/zinc/05/86/06/319058606.db2.gz MSAJSVFPGXYGTI-INIZCTEOSA-N 2 0 329.404 2.007 20 5 EEBDRP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152416746 463687976 /nfs/dbraw/zinc/68/79/76/463687976.db2.gz VLWDQKLASGPHHD-CQSZACIVSA-N 2 0 334.420 2.197 20 5 EEBDRP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285032201 464433237 /nfs/dbraw/zinc/43/32/37/464433237.db2.gz HUOSWOOBVWLCNE-ZIAGYGMSSA-N 2 0 336.436 2.329 20 5 EEBDRP CC(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000347084452 466381278 /nfs/dbraw/zinc/38/12/78/466381278.db2.gz ALACJYPJDRFHLW-HNNXBMFYSA-N 2 0 348.447 2.005 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430571218 467442836 /nfs/dbraw/zinc/44/28/36/467442836.db2.gz HRFVABZFLOYBGS-KGLIPLIRSA-N 2 0 334.420 2.291 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914216 467448528 /nfs/dbraw/zinc/44/85/28/467448528.db2.gz XPBVJMOKTMUUIV-CYBMUJFWSA-N 2 0 334.420 2.291 20 5 EEBDRP CSC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000819322641 785507136 /nfs/dbraw/zinc/50/71/36/785507136.db2.gz UPKRUCVPEXPPHD-HNNXBMFYSA-N 2 0 339.461 2.045 20 5 EEBDRP COc1cccc(CC2([NH3+])CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998234 803564092 /nfs/dbraw/zinc/56/40/92/803564092.db2.gz KEHDXVNTFUVWFT-SJORKVTESA-N 2 0 347.459 2.476 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420393720 239801207 /nfs/dbraw/zinc/80/12/07/239801207.db2.gz QTZDAONVGVRAPA-CRAIPNDOSA-N 2 0 349.431 2.192 20 5 EEBDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000422929794 240296477 /nfs/dbraw/zinc/29/64/77/240296477.db2.gz ABFMKRSJKKXTPS-CYBMUJFWSA-N 2 0 335.404 2.006 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423538113 274472134 /nfs/dbraw/zinc/47/21/34/274472134.db2.gz FIVKNGPWNZIFQE-HLPPOEQASA-N 2 0 346.431 2.290 20 5 EEBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000443061916 315226924 /nfs/dbraw/zinc/22/69/24/315226924.db2.gz SMRZCURBZSMPSY-LBPRGKRZSA-N 2 0 331.376 2.206 20 5 EEBDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000120897494 463052214 /nfs/dbraw/zinc/05/22/14/463052214.db2.gz NZQNIVADCCNIHS-ZBFHGGJFSA-N 2 0 334.464 2.437 20 5 EEBDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000373140244 466705005 /nfs/dbraw/zinc/70/50/05/466705005.db2.gz MNUBPXHNQPEPED-CRAIPNDOSA-N 2 0 343.431 2.292 20 5 EEBDRP CN1CCN(C)[C@H](C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417317851 466831909 /nfs/dbraw/zinc/83/19/09/466831909.db2.gz XNHRUVGIDKPPPI-AEFFLSMTSA-N 2 0 332.448 2.198 20 5 EEBDRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc([N+](=O)[O-])cc3F)c2)CC1 ZINC000601068111 468733396 /nfs/dbraw/zinc/73/33/96/468733396.db2.gz JHZYRIHPJDHQNS-UHFFFAOYSA-N 2 0 345.378 2.493 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736234 469118235 /nfs/dbraw/zinc/11/82/35/469118235.db2.gz KGUNEFRPRQZLGV-JOQOYGCGSA-N 2 0 349.431 2.322 20 5 EEBDRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602524264 469348999 /nfs/dbraw/zinc/34/89/99/469348999.db2.gz CZIAGGMWQDQSHQ-OAHLLOKOSA-N 2 0 347.463 2.280 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000602569316 469365315 /nfs/dbraw/zinc/36/53/15/469365315.db2.gz PSCLFLBDDOJGMN-RBUKOAKNSA-N 2 0 347.459 2.495 20 5 EEBDRP C[C@@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246116091 1310239585 /nfs/dbraw/zinc/23/95/85/1310239585.db2.gz UUOYXGVFZVPWPN-CABCVRRESA-N 2 0 332.448 2.399 20 5 EEBDRP [NH3+]C[C@@H]1COc2ccccc2N1c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001171393492 794575143 /nfs/dbraw/zinc/57/51/43/794575143.db2.gz LDSQIUUCLDIKBB-CYBMUJFWSA-N 2 0 326.356 2.056 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001168992538 803559809 /nfs/dbraw/zinc/55/98/09/803559809.db2.gz KNLASRZRSJVKBW-QZTJIDSGSA-N 2 0 332.448 2.329 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442795693 242115988 /nfs/dbraw/zinc/11/59/88/242115988.db2.gz VEYRPPZAOUBARI-MZBDJJRSSA-N 2 0 346.431 2.447 20 5 EEBDRP Cc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000128041455 292335212 /nfs/dbraw/zinc/33/52/12/292335212.db2.gz APUSDRMRUOBGQT-ZBFHGGJFSA-N 2 0 348.447 2.141 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617760 162213779 /nfs/dbraw/zinc/21/37/79/162213779.db2.gz IOTCTNOUXXWJNP-XYPHTWIQSA-N 2 0 337.395 2.417 20 5 EEBDRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000332431712 312006396 /nfs/dbraw/zinc/00/63/96/312006396.db2.gz FDYKJIUWFMPYBM-UHFFFAOYSA-N 2 0 346.475 2.369 20 5 EEBDRP Cc1c([C@H](C)[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000120925467 463054522 /nfs/dbraw/zinc/05/45/22/463054522.db2.gz IISRQRZFRZYURS-HOCLYGCPSA-N 2 0 334.464 2.437 20 5 EEBDRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285032195 464432597 /nfs/dbraw/zinc/43/25/97/464432597.db2.gz HUOSWOOBVWLCNE-KBPBESRZSA-N 2 0 336.436 2.329 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423466811 466754023 /nfs/dbraw/zinc/75/40/23/466754023.db2.gz TYFHSAZIHJGPSA-HZSPNIEDSA-N 2 0 334.420 2.419 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333788 467362358 /nfs/dbraw/zinc/36/23/58/467362358.db2.gz FTKVSFNBJJVADT-CABCVRRESA-N 2 0 346.431 2.163 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420422311 467404360 /nfs/dbraw/zinc/40/43/60/467404360.db2.gz ZFSRUIKAZMRJJY-OCCSQVGLSA-N 2 0 334.420 2.149 20 5 EEBDRP CC(C)[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000449075316 467616589 /nfs/dbraw/zinc/61/65/89/467616589.db2.gz MQJLSMKCDVLQCH-LPHOPBHVSA-N 2 0 348.491 2.387 20 5 EEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449253613 467626115 /nfs/dbraw/zinc/62/61/15/467626115.db2.gz ZNWIEUNLJRVWDA-CVEARBPZSA-N 2 0 334.464 2.141 20 5 EEBDRP [NH3+]C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600728252 468638367 /nfs/dbraw/zinc/63/83/67/468638367.db2.gz SQJPCFVERBGXPT-SMDDNHRTSA-N 2 0 347.337 2.433 20 5 EEBDRP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000573711448 469191143 /nfs/dbraw/zinc/19/11/43/469191143.db2.gz UAELIUXTUIUHOV-INIZCTEOSA-N 2 0 329.404 2.007 20 5 EEBDRP Cc1c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] ZINC000735873356 578171047 /nfs/dbraw/zinc/17/10/47/578171047.db2.gz KSHDYVDXQBHFCV-UHFFFAOYSA-N 2 0 346.475 2.363 20 5 EEBDRP [NH3+]C[C@@]1(O)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246565756 1310344958 /nfs/dbraw/zinc/34/49/58/1310344958.db2.gz ZNZDEKFOAUVFHQ-WMZOPIPTSA-N 2 0 333.432 2.018 20 5 EEBDRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000843348928 1315895933 /nfs/dbraw/zinc/89/59/33/1315895933.db2.gz YVPSLJMETBNIGM-LLVKDONJSA-N 2 0 338.383 2.122 20 5 EEBDRP CCC[N@H+](C)CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001203437633 1321881245 /nfs/dbraw/zinc/88/12/45/1321881245.db2.gz PDCJQCPGEAQUDI-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000923390866 789478709 /nfs/dbraw/zinc/47/87/09/789478709.db2.gz WMGMWSUXLCTPCG-SJLPKXTDSA-N 2 0 333.432 2.340 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000344832970 161249482 /nfs/dbraw/zinc/24/94/82/161249482.db2.gz OLYWXENYKPRKLK-QINSGFPZSA-N 2 0 333.432 2.435 20 5 EEBDRP Cn1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414895990 313109417 /nfs/dbraw/zinc/10/94/17/313109417.db2.gz AIJNJWVCBXNNAA-UHFFFAOYSA-N 2 0 343.431 2.475 20 5 EEBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449130806 315421054 /nfs/dbraw/zinc/42/10/54/315421054.db2.gz HWXNUVGUOSDLDU-SJORKVTESA-N 2 0 348.491 2.389 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000572728380 319872643 /nfs/dbraw/zinc/87/26/43/319872643.db2.gz MTARPIWEWVRSJV-UHFFFAOYSA-N 2 0 334.420 2.293 20 5 EEBDRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000339440247 465275579 /nfs/dbraw/zinc/27/55/79/465275579.db2.gz PGGZFCZSEUWJKI-GOSISDBHSA-N 2 0 346.431 2.341 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000423548376 466771864 /nfs/dbraw/zinc/77/18/64/466771864.db2.gz QXNVKDAQKWTSAX-DGXTUMSLSA-N 2 0 333.436 2.253 20 5 EEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376156 467384561 /nfs/dbraw/zinc/38/45/61/467384561.db2.gz JQGKKHTWIRWRKD-OCCSQVGLSA-N 2 0 330.392 2.043 20 5 EEBDRP COc1cc(CN2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC(F)F ZINC000430931572 467478091 /nfs/dbraw/zinc/47/80/91/467478091.db2.gz XDMDSGIGJKKJNJ-ONGXEEELSA-N 2 0 345.346 2.374 20 5 EEBDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873012092 1198473709 /nfs/dbraw/zinc/47/37/09/1198473709.db2.gz MOGLECFLMBXQGD-OAHLLOKOSA-N 2 0 334.464 2.327 20 5 EEBDRP C[NH+](C)CCCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001202217184 1289943214 /nfs/dbraw/zinc/94/32/14/1289943214.db2.gz LYHBTQFNGPQHBU-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[C@@H](C[N+](C)(C)C)Oc1n[nH]c2c1CCN(Cc1ccccc1)C2 ZINC001226706924 1301517619 /nfs/dbraw/zinc/51/76/19/1301517619.db2.gz QWKLNBJAPUCWPQ-HNNXBMFYSA-N 2 0 329.468 2.442 20 5 EEBDRP COc1cc(N2CCC([N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001246538591 1310334812 /nfs/dbraw/zinc/33/48/12/1310334812.db2.gz CYOSSGKXFRYUBA-UONOGXRCSA-N 2 0 348.447 2.099 20 5 EEBDRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336704060 1336583084 /nfs/dbraw/zinc/58/30/84/1336583084.db2.gz NMLNTAHBXOARIW-SFHVURJKSA-N 2 0 329.400 2.480 20 5 EEBDRP [NH3+][C@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C12CCOCC2 ZINC001580162777 1403839775 /nfs/dbraw/zinc/83/97/75/1403839775.db2.gz FPICKKIEKGRUCA-GJZGRUSLSA-N 2 0 339.823 2.277 20 5 EEBDRP C[N@@H+]1CCCN(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913214 797171482 /nfs/dbraw/zinc/17/14/82/797171482.db2.gz USYNQJXCGHMEMM-SFHVURJKSA-N 2 0 346.475 2.069 20 5 EEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001173213247 797315824 /nfs/dbraw/zinc/31/58/24/797315824.db2.gz HFRKYHYDDGKOFM-OAHLLOKOSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422632971 240167210 /nfs/dbraw/zinc/16/72/10/240167210.db2.gz HMPXUCAXSLCKKI-RDBSUJKOSA-N 2 0 334.420 2.229 20 5 EEBDRP COc1ccc(OCC[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422635675 240169138 /nfs/dbraw/zinc/16/91/38/240169138.db2.gz LWYVJIQLMXPRBX-RDBSUJKOSA-N 2 0 337.420 2.287 20 5 EEBDRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000277054807 256493353 /nfs/dbraw/zinc/49/33/53/256493353.db2.gz CSDZYBOVXVQAAH-CQSZACIVSA-N 2 0 334.420 2.340 20 5 EEBDRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000350945736 140956187 /nfs/dbraw/zinc/95/61/87/140956187.db2.gz AGUZCPUCJQCQBQ-UHFFFAOYSA-N 2 0 334.420 2.197 20 5 EEBDRP CN(CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H](C[NH3+])C1CC1 ZINC000359998879 164212152 /nfs/dbraw/zinc/21/21/52/164212152.db2.gz FOXVMLBSUOSSDM-HNNXBMFYSA-N 2 0 330.388 2.461 20 5 EEBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000351498812 465186910 /nfs/dbraw/zinc/18/69/10/465186910.db2.gz VWAJWBVEBNRBLO-CWRNSKLLSA-N 2 0 342.399 2.461 20 5 EEBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333764 467362680 /nfs/dbraw/zinc/36/26/80/467362680.db2.gz FRJNFNFVCOHURL-QLFBSQMISA-N 2 0 346.431 2.243 20 5 EEBDRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435392777 467466422 /nfs/dbraw/zinc/46/64/22/467466422.db2.gz XQKBWARKJZMXCI-IAOVAPTHSA-N 2 0 341.415 2.164 20 5 EEBDRP C[NH+](C)CCOc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602601303 469379593 /nfs/dbraw/zinc/37/95/93/469379593.db2.gz KITYGGQFCJHVJP-UHFFFAOYSA-N 2 0 344.415 2.263 20 5 EEBDRP Cc1c(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873011236 1198473912 /nfs/dbraw/zinc/47/39/12/1198473912.db2.gz VTGGAKDGLBGYKG-SFHVURJKSA-N 2 0 334.464 2.265 20 5 EEBDRP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314488 1200392516 /nfs/dbraw/zinc/39/25/16/1200392516.db2.gz PFWQNTGSULMFJB-UHFFFAOYSA-N 2 0 331.420 2.293 20 5 EEBDRP C[NH+](C)CCN1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172909989 797168610 /nfs/dbraw/zinc/16/86/10/797168610.db2.gz WHIHCFDKXDCESB-GOSISDBHSA-N 2 0 346.475 2.021 20 5 EEBDRP CC(C)[NH+]1CCN(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234610 797312428 /nfs/dbraw/zinc/31/24/28/797312428.db2.gz PRGQHDGXCXLRGW-MRXNPFEDSA-N 2 0 334.464 2.141 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)C1 ZINC001168983447 803546774 /nfs/dbraw/zinc/54/67/74/803546774.db2.gz KFDQSLSVDSPWGP-ZWKOTPCHSA-N 2 0 339.480 2.160 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000442767741 242108778 /nfs/dbraw/zinc/10/87/78/242108778.db2.gz ZLZHEGXBUMAVKA-YIONKMFJSA-N 2 0 346.431 2.447 20 5 EEBDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192842795 274218880 /nfs/dbraw/zinc/21/88/80/274218880.db2.gz NZJPTIXKVCSAMF-KBXCAEBGSA-N 2 0 332.448 2.198 20 5 EEBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000443057306 315226538 /nfs/dbraw/zinc/22/65/38/315226538.db2.gz GFBURKVLCHLIKZ-LBPRGKRZSA-N 2 0 331.376 2.206 20 5 EEBDRP Cn1cc(CN2CC[C@H](C[NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000125456206 463546397 /nfs/dbraw/zinc/54/63/97/463546397.db2.gz PBNLXODSHAYXBR-CQSZACIVSA-N 2 0 343.431 2.379 20 5 EEBDRP Cn1cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591281801 468438281 /nfs/dbraw/zinc/43/82/81/468438281.db2.gz KWHWKLKUTGCJMF-INIZCTEOSA-N 2 0 341.415 2.227 20 5 EEBDRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591281787 468438696 /nfs/dbraw/zinc/43/86/96/468438696.db2.gz VTRSBNDIRGJVSK-JOCQHMNTSA-N 2 0 335.404 2.221 20 5 EEBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424285533 467022356 /nfs/dbraw/zinc/02/23/56/467022356.db2.gz FRSSMNDLINVIRZ-AWEZNQCLSA-N 2 0 346.431 2.306 20 5 EEBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420347071 467372662 /nfs/dbraw/zinc/37/26/62/467372662.db2.gz ZXPMGKCKGNDNQG-QLFBSQMISA-N 2 0 346.431 2.243 20 5 EEBDRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592471162 468705874 /nfs/dbraw/zinc/70/58/74/468705874.db2.gz DIOUVAPZXOCLLH-UHFFFAOYSA-N 2 0 332.404 2.140 20 5 EEBDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000932179735 1207555170 /nfs/dbraw/zinc/55/51/70/1207555170.db2.gz LWBRMKTUARAHGI-CQSZACIVSA-N 2 0 348.447 2.234 20 5 EEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]C[C@@H]2F)c([N+](=O)[O-])c1 ZINC001246475403 1310318431 /nfs/dbraw/zinc/31/84/31/1310318431.db2.gz DZUSUKZWDDYOIL-WHOFXGATSA-N 2 0 325.384 2.072 20 5 EEBDRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)c1 ZINC001155347412 1317560111 /nfs/dbraw/zinc/56/01/11/1317560111.db2.gz WBOZFDOPMLPWGU-SNVBAGLBSA-N 2 0 338.371 2.035 20 5 EEBDRP C[N@H+](CCN1CC[NH+](C)CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172922573 797153306 /nfs/dbraw/zinc/15/33/06/797153306.db2.gz YRJBVNZPFHTEKW-GOSISDBHSA-N 2 0 346.475 2.021 20 5 EEBDRP COc1cccc(CC2([NH3+])CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998231 803564007 /nfs/dbraw/zinc/56/40/07/803564007.db2.gz KEHDXVNTFUVWFT-DLBZAZTESA-N 2 0 347.459 2.476 20 5 EEBDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000442780924 242112984 /nfs/dbraw/zinc/11/29/84/242112984.db2.gz OMHOXESJCFJBSA-STQMWFEESA-N 2 0 330.388 2.461 20 5 EEBDRP COc1ccc(OCCN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000248159239 160338835 /nfs/dbraw/zinc/33/88/35/160338835.db2.gz RVYMZDVJYUGQEX-GDBMZVCRSA-N 2 0 349.431 2.398 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423552499 274472443 /nfs/dbraw/zinc/47/24/43/274472443.db2.gz VCBOVQGMANQOHJ-IXYNUQLISA-N 2 0 346.431 2.290 20 5 EEBDRP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000358504178 465163296 /nfs/dbraw/zinc/16/32/96/465163296.db2.gz HNCRJQOYXNHJGZ-CQSZACIVSA-N 2 0 346.431 2.306 20 5 EEBDRP C[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000192822921 465005454 /nfs/dbraw/zinc/00/54/54/465005454.db2.gz DFJHAMCPXBVOSF-DNVCBOLYSA-N 2 0 346.475 2.445 20 5 EEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000299730137 465873285 /nfs/dbraw/zinc/87/32/85/465873285.db2.gz WYGWDQSYLNOFMT-KRWDZBQOSA-N 2 0 348.447 2.083 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420338435 467365702 /nfs/dbraw/zinc/36/57/02/467365702.db2.gz XZDGFKQYICAKPT-HUUCEWRRSA-N 2 0 349.431 2.304 20 5 EEBDRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435392780 467465762 /nfs/dbraw/zinc/46/57/62/467465762.db2.gz XQKBWARKJZMXCI-XKQJLSEDSA-N 2 0 341.415 2.164 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000569625812 468520503 /nfs/dbraw/zinc/52/05/03/468520503.db2.gz ODUXSBVWGGDOND-SSZFMOIBSA-N 2 0 334.464 2.423 20 5 EEBDRP C[N@@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602687602 469012296 /nfs/dbraw/zinc/01/22/96/469012296.db2.gz OBKQTALZTLLCSO-OAHLLOKOSA-N 2 0 347.463 2.280 20 5 EEBDRP COc1c(O)ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000892227442 678280581 /nfs/dbraw/zinc/28/05/81/678280581.db2.gz KJNZCNDOJKOHTB-JSGCOSHPSA-N 2 0 335.404 2.225 20 5 EEBDRP CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000872038944 1198033645 /nfs/dbraw/zinc/03/36/45/1198033645.db2.gz PWAWBMWJIXZTKR-LBPRGKRZSA-N 2 0 339.461 2.424 20 5 EEBDRP Cn1cc(C[NH2+]CC2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000105458891 1286402866 /nfs/dbraw/zinc/40/28/66/1286402866.db2.gz FOMVRTHLLKGWKB-UHFFFAOYSA-N 2 0 343.431 2.427 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000841079261 1315469692 /nfs/dbraw/zinc/46/96/92/1315469692.db2.gz KNEUSUORDKAAGO-KRWDZBQOSA-N 2 0 330.432 2.295 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001254537312 1318114511 /nfs/dbraw/zinc/11/45/11/1318114511.db2.gz ZOUNQWHZFHMETI-OAHLLOKOSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001254549307 1318118368 /nfs/dbraw/zinc/11/83/68/1318118368.db2.gz RCSKTXGWRCMGKL-AWEZNQCLSA-N 2 0 333.432 2.226 20 5 EEBDRP CC(C)(C(=O)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001127317267 795357385 /nfs/dbraw/zinc/35/73/85/795357385.db2.gz MKBQFOQQPPQXGY-UHFFFAOYSA-N 2 0 348.447 2.065 20 5 EEBDRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176930957 798634268 /nfs/dbraw/zinc/63/42/68/798634268.db2.gz UBOAEGYPAIYPIU-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349035609 285250838 /nfs/dbraw/zinc/25/08/38/285250838.db2.gz KFZCSGKVDMKCNS-GOSISDBHSA-N 2 0 334.464 2.443 20 5 EEBDRP O=[N+]([O-])c1ccn(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121802012 292268341 /nfs/dbraw/zinc/26/83/41/292268341.db2.gz WJCRSKUJCFNFOE-UHFFFAOYSA-N 2 0 335.452 2.379 20 5 EEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247012457 160305484 /nfs/dbraw/zinc/30/54/84/160305484.db2.gz QAITVPCUPNIGJA-WMLDXEAASA-N 2 0 346.431 2.340 20 5 EEBDRP CC[NH2+]CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430592233 314554147 /nfs/dbraw/zinc/55/41/47/314554147.db2.gz PUBJQIFJUJNTDI-QGZVFWFLSA-N 2 0 346.431 2.022 20 5 EEBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449222247 315435442 /nfs/dbraw/zinc/43/54/42/315435442.db2.gz VWYBCOXCWOPOEB-MRXNPFEDSA-N 2 0 334.464 2.143 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423255291 466704522 /nfs/dbraw/zinc/70/45/22/466704522.db2.gz BNMFDOSKKJNTRH-ZIAGYGMSSA-N 2 0 334.420 2.291 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000423508096 466761416 /nfs/dbraw/zinc/76/14/16/466761416.db2.gz NMMBXWZVWYOBSY-JGGQBBKZSA-N 2 0 329.404 2.135 20 5 EEBDRP Cn1cc(C[NH2+][C@@H]2CC[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415043945 467474352 /nfs/dbraw/zinc/47/43/52/467474352.db2.gz SINVGCIMZGQYGY-SWLSCSKDSA-N 2 0 329.404 2.212 20 5 EEBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488743 468709958 /nfs/dbraw/zinc/70/99/58/468709958.db2.gz MWPQWJCLTGDGDR-UKRRQHHQSA-N 2 0 334.420 2.291 20 5 EEBDRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602656825 468991355 /nfs/dbraw/zinc/99/13/55/468991355.db2.gz OHUGAYAWRUWAQR-OAHLLOKOSA-N 2 0 347.463 2.279 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593737671 469117661 /nfs/dbraw/zinc/11/76/61/469117661.db2.gz TVQHHFACNIQMLN-RKVPGOIHSA-N 2 0 349.431 2.192 20 5 EEBDRP Cc1cc(NCCC[NH+]2CCC(O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596086629 469147107 /nfs/dbraw/zinc/14/71/07/469147107.db2.gz UYRZNHSGNSAQHJ-UHFFFAOYSA-N 2 0 344.415 2.132 20 5 EEBDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000903792902 1241987652 /nfs/dbraw/zinc/98/76/52/1241987652.db2.gz JERGYDGDDIUKKN-UHFFFAOYSA-N 2 0 326.400 2.482 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001246983355 1310489217 /nfs/dbraw/zinc/48/92/17/1310489217.db2.gz FOJMJBILKXDHLL-DOTOQJQBSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843353056 1315897495 /nfs/dbraw/zinc/89/74/95/1315897495.db2.gz AMOVQDRLJPNBTM-NWDGAFQWSA-N 2 0 338.383 2.122 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCOCC3)CC2)C1 ZINC001168983446 803546654 /nfs/dbraw/zinc/54/66/54/803546654.db2.gz KFDQSLSVDSPWGP-ROUUACIJSA-N 2 0 339.480 2.160 20 5 EEBDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000423072513 240350535 /nfs/dbraw/zinc/35/05/35/240350535.db2.gz JNCWXNKWQNZGJV-AWEZNQCLSA-N 2 0 349.431 2.314 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333791 467362372 /nfs/dbraw/zinc/36/23/72/467362372.db2.gz FTKVSFNBJJVADT-GJZGRUSLSA-N 2 0 346.431 2.163 20 5 EEBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420337023 467364605 /nfs/dbraw/zinc/36/46/05/467364605.db2.gz JGYYYRYBYKDMFI-HUUCEWRRSA-N 2 0 346.431 2.245 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420338437 467366001 /nfs/dbraw/zinc/36/60/01/467366001.db2.gz XZDGFKQYICAKPT-LSDHHAIUSA-N 2 0 349.431 2.304 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420422308 467402916 /nfs/dbraw/zinc/40/29/16/467402916.db2.gz ZFSRUIKAZMRJJY-JSGCOSHPSA-N 2 0 334.420 2.149 20 5 EEBDRP O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000592984985 468834595 /nfs/dbraw/zinc/83/45/95/468834595.db2.gz YMSFMAGDEZOFCH-HNNXBMFYSA-N 2 0 333.436 2.256 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593737663 469118125 /nfs/dbraw/zinc/11/81/25/469118125.db2.gz SPXOOSOZFOKQCT-KSSFIOAISA-N 2 0 346.431 2.293 20 5 EEBDRP [NH3+]CC1(F)CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246624036 1310361503 /nfs/dbraw/zinc/36/15/03/1310361503.db2.gz DDJASBNVCQHLEF-UHFFFAOYSA-N 2 0 336.411 2.326 20 5 EEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001173234596 797312300 /nfs/dbraw/zinc/31/23/00/797312300.db2.gz SGDUUBHKSDHAMV-MRXNPFEDSA-N 2 0 334.464 2.095 20 5 EEBDRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001151354994 801740849 /nfs/dbraw/zinc/74/08/49/801740849.db2.gz VZBBUBWRTYPJLH-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423479089 240498644 /nfs/dbraw/zinc/49/86/44/240498644.db2.gz LSQZOOYKJWZRGN-KBPBESRZSA-N 2 0 334.420 2.434 20 5 EEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247013032 160305820 /nfs/dbraw/zinc/30/58/20/160305820.db2.gz QBURJAMMFIKMLA-GOEBONIOSA-N 2 0 346.431 2.340 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000344851191 161250680 /nfs/dbraw/zinc/25/06/80/161250680.db2.gz LEWRHHOPQDYELT-QZFKAFNDSA-N 2 0 332.448 2.224 20 5 EEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464564 320028141 /nfs/dbraw/zinc/02/81/41/320028141.db2.gz MTBXKOIPVCJZET-WMLDXEAASA-N 2 0 332.448 2.198 20 5 EEBDRP C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000576172419 320147693 /nfs/dbraw/zinc/14/76/93/320147693.db2.gz LTYZJWRSQNWXLM-YOEHRIQHSA-N 2 0 332.448 2.055 20 5 EEBDRP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCN1CC[NH+](C)CC1 ZINC000349315168 466062471 /nfs/dbraw/zinc/06/24/71/466062471.db2.gz KTADBOZNJZPYAQ-YVMONPNESA-N 2 0 332.448 2.177 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+](C2CC2)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000592471211 468705520 /nfs/dbraw/zinc/70/55/20/468705520.db2.gz KVWULRZFYXGQSX-UHFFFAOYSA-N 2 0 346.431 2.448 20 5 EEBDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595505364 468880999 /nfs/dbraw/zinc/88/09/99/468880999.db2.gz SMKZIDHWLAFJDW-GOSISDBHSA-N 2 0 346.431 2.341 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873259593 1198543603 /nfs/dbraw/zinc/54/36/03/1198543603.db2.gz HSVIHQGEESSBKK-LUYZLQTOSA-N 2 0 346.431 2.432 20 5 EEBDRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382980 1315904266 /nfs/dbraw/zinc/90/42/66/1315904266.db2.gz BZZUOWGPOMDHFD-GFCCVEGCSA-N 2 0 338.383 2.266 20 5 EEBDRP C[NH+](C)CCOc1cc(N[C@H]2C[NH+]3CCC2CC3)ccc1[N+](=O)[O-] ZINC001163394039 1321114478 /nfs/dbraw/zinc/11/44/78/1321114478.db2.gz BXSYMBRCQHHHOE-HNNXBMFYSA-N 2 0 334.420 2.041 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504476 465164032 /nfs/dbraw/zinc/16/40/32/465164032.db2.gz GRMPULPDBQHGPN-UHFFFAOYSA-N 2 0 346.431 2.307 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000114199497 462632046 /nfs/dbraw/zinc/63/20/46/462632046.db2.gz SLMRBKZQEWRKPP-AWEZNQCLSA-N 2 0 334.420 2.115 20 5 EEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000072597163 463524234 /nfs/dbraw/zinc/52/42/34/463524234.db2.gz IMCZRDMUULOULZ-CQSZACIVSA-N 2 0 348.447 2.046 20 5 EEBDRP C[NH2+]CCC1CC[NH+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000262015987 463925380 /nfs/dbraw/zinc/92/53/80/463925380.db2.gz WEJKJVLOLAXTHJ-UHFFFAOYSA-N 2 0 337.420 2.304 20 5 EEBDRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594495437 468609338 /nfs/dbraw/zinc/60/93/38/468609338.db2.gz XQDMVTFWXBYRQQ-QGZVFWFLSA-N 2 0 332.448 2.198 20 5 EEBDRP CC[N@H+](C)C[C@H]1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274811 469217472 /nfs/dbraw/zinc/21/74/72/469217472.db2.gz WBQRRHQYESCTAI-CYBMUJFWSA-N 2 0 335.404 2.140 20 5 EEBDRP COc1cc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000415018868 533884132 /nfs/dbraw/zinc/88/41/32/533884132.db2.gz CYUAFQXDUHKSAK-JOCQHMNTSA-N 2 0 337.420 2.467 20 5 EEBDRP C[C@@H]1C[NH2+]C[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001246096764 1310235023 /nfs/dbraw/zinc/23/50/23/1310235023.db2.gz FWSXRWKSTWOWGA-LSDHHAIUSA-N 2 0 332.448 2.399 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001163128715 1321045400 /nfs/dbraw/zinc/04/54/00/1321045400.db2.gz BOXLAWCIPXMMRH-UHFFFAOYSA-N 2 0 330.392 2.421 20 5 EEBDRP CC[N@H+](C)CCC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001203203431 759652747 /nfs/dbraw/zinc/65/27/47/759652747.db2.gz LKKSAUCKFVVYMX-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001173234099 797312057 /nfs/dbraw/zinc/31/20/57/797312057.db2.gz MNQALNILXXBMQO-SECBINFHSA-N 2 0 341.462 2.410 20 5 EEBDRP CC1(C)C[C@@H](Nc2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])C[C@@](C)(C[NH3+])C1 ZINC001169142099 803634038 /nfs/dbraw/zinc/63/40/38/803634038.db2.gz FZTQORORDZJPKR-SJKOYZFVSA-N 2 0 348.451 2.027 20 5 EEBDRP CC[N+](C)(C)Cc1ccccc1NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001170277031 809875429 /nfs/dbraw/zinc/87/54/29/809875429.db2.gz KWNMNXLAWDRTPQ-QRVBRYPASA-N 2 0 336.500 2.420 20 5 EEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422632970 240167408 /nfs/dbraw/zinc/16/74/08/240167408.db2.gz HMPXUCAXSLCKKI-MGPQQGTHSA-N 2 0 334.420 2.229 20 5 EEBDRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC000580581203 324093049 /nfs/dbraw/zinc/09/30/49/324093049.db2.gz GZKSQRHNANLXLI-INIZCTEOSA-N 2 0 332.448 2.198 20 5 EEBDRP O=[N+]([O-])c1ccccc1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344555129 465672952 /nfs/dbraw/zinc/67/29/52/465672952.db2.gz XVZJYLKBUGHPDN-LJQANCHMSA-N 2 0 341.411 2.321 20 5 EEBDRP C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367026823 466080181 /nfs/dbraw/zinc/08/01/81/466080181.db2.gz DDCPDWHIKUAGFS-APWZRJJASA-N 2 0 346.475 2.095 20 5 EEBDRP CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000420317977 467353813 /nfs/dbraw/zinc/35/38/13/467353813.db2.gz VFWFJPDXVHPSQJ-HNNXBMFYSA-N 2 0 334.420 2.387 20 5 EEBDRP Cn1cc(C[NH2+][C@H]2CC[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000415043946 467474466 /nfs/dbraw/zinc/47/44/66/467474466.db2.gz SINVGCIMZGQYGY-WFASDCNBSA-N 2 0 329.404 2.212 20 5 EEBDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449195057 467622950 /nfs/dbraw/zinc/62/29/50/467622950.db2.gz VTRUSCGIZZLBNX-HNNXBMFYSA-N 2 0 335.448 2.351 20 5 EEBDRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000591739743 485595972 /nfs/dbraw/zinc/59/59/72/485595972.db2.gz YJTUBUKMNZDTJA-CYBMUJFWSA-N 2 0 334.420 2.243 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000873042743 1198482296 /nfs/dbraw/zinc/48/22/96/1198482296.db2.gz IFJBGDFRVGFDNV-AWEZNQCLSA-N 2 0 334.464 2.185 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843353874 1315898125 /nfs/dbraw/zinc/89/81/25/1315898125.db2.gz OMRCSHNZHSURHU-UHFFFAOYSA-N 2 0 334.420 2.434 20 5 EEBDRP CCOc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001578166099 1344243414 /nfs/dbraw/zinc/24/34/14/1344243414.db2.gz JWTMLNRHWADHDS-HNNXBMFYSA-N 2 0 349.431 2.323 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(COCC[NH+]3CCCC3)CC2)C1 ZINC001169008057 803569441 /nfs/dbraw/zinc/56/94/41/803569441.db2.gz RHJKGEZUYQODCC-ROUUACIJSA-N 2 0 339.480 2.256 20 5 EEBDRP COc1ccc(OCC[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000422635672 240169274 /nfs/dbraw/zinc/16/92/74/240169274.db2.gz LWYVJIQLMXPRBX-IHRRRGAJSA-N 2 0 337.420 2.287 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)o2)c1 ZINC000360567708 164340776 /nfs/dbraw/zinc/34/07/76/164340776.db2.gz HAURQMBTVIFKLG-GOSISDBHSA-N 2 0 342.399 2.478 20 5 EEBDRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420385261 313947144 /nfs/dbraw/zinc/94/71/44/313947144.db2.gz SQFTXYAIUODQSZ-ZWKOTPCHSA-N 2 0 333.432 2.356 20 5 EEBDRP Cn1ccnc1[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423340218 466722990 /nfs/dbraw/zinc/72/29/90/466722990.db2.gz VNTSTBWCWXZEFB-INIZCTEOSA-N 2 0 343.431 2.397 20 5 EEBDRP CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420317978 467354021 /nfs/dbraw/zinc/35/40/21/467354021.db2.gz VFWFJPDXVHPSQJ-OAHLLOKOSA-N 2 0 334.420 2.387 20 5 EEBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488742 468709230 /nfs/dbraw/zinc/70/92/30/468709230.db2.gz MWPQWJCLTGDGDR-HIFRSBDPSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1nn(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c2ncc([N+](=O)[O-])cc12 ZINC000768501826 577557106 /nfs/dbraw/zinc/55/71/06/577557106.db2.gz XCVAQDISXBFMIP-BBRMVZONSA-N 2 0 344.419 2.022 20 5 EEBDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761522629 577685369 /nfs/dbraw/zinc/68/53/69/577685369.db2.gz SUNBLDVDIJGCRK-UHFFFAOYSA-N 2 0 340.855 2.365 20 5 EEBDRP [NH3+]C[C@]1(O)CCCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246565749 1310345925 /nfs/dbraw/zinc/34/59/25/1310345925.db2.gz ZNZDEKFOAUVFHQ-FUHWJXTLSA-N 2 0 333.432 2.018 20 5 EEBDRP CC[NH+](CC)CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001203004885 1314814520 /nfs/dbraw/zinc/81/45/20/1314814520.db2.gz JWOHNKWADPDAKH-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP COc1cc(N2CCC([N@H+](C)C[C@H](C)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256101676 1318647711 /nfs/dbraw/zinc/64/77/11/1318647711.db2.gz ONNIBZRROXFVHM-CYBMUJFWSA-N 2 0 336.436 2.099 20 5 EEBDRP CCOc1nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)ccc1[N+](=O)[O-] ZINC001160950930 1320329038 /nfs/dbraw/zinc/32/90/38/1320329038.db2.gz UNYMWOBOWMHRME-UHFFFAOYSA-N 2 0 327.344 2.229 20 5 EEBDRP COc1ccc(CC2([NH3+])CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997050 803562497 /nfs/dbraw/zinc/56/24/97/803562497.db2.gz BGVFFIJTDVRCGG-DLBZAZTESA-N 2 0 347.459 2.476 20 5 EEBDRP COc1cc[nH+]c(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)c1 ZINC001169050624 803595375 /nfs/dbraw/zinc/59/53/75/803595375.db2.gz BYXCTJKCELJIIH-ZFWWWQNUSA-N 2 0 334.420 2.094 20 5 EEBDRP [NH3+]Cc1ccc2c(n1)N(c1cc3c(cc1[N+](=O)[O-])C[NH2+]C3)CCC2 ZINC001169592180 803864267 /nfs/dbraw/zinc/86/42/67/803864267.db2.gz IMYCNBUDWWCCQB-UHFFFAOYSA-N 2 0 325.372 2.136 20 5 EEBDRP CN(CCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000290208852 275189440 /nfs/dbraw/zinc/18/94/40/275189440.db2.gz QGFAONIQRIJTNH-JXMROGBWSA-N 2 0 334.464 2.423 20 5 EEBDRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192618935 464958525 /nfs/dbraw/zinc/95/85/25/464958525.db2.gz PIIDOKAEOFYFOA-GOSISDBHSA-N 2 0 332.448 2.199 20 5 EEBDRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424283306 467020963 /nfs/dbraw/zinc/02/09/63/467020963.db2.gz BHDBVJDMHUAMAJ-CQSZACIVSA-N 2 0 346.431 2.022 20 5 EEBDRP CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000420311027 467349704 /nfs/dbraw/zinc/34/97/04/467349704.db2.gz GNYPRGYEBGHIMQ-UHFFFAOYSA-N 2 0 334.420 2.387 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000420345454 467371468 /nfs/dbraw/zinc/37/14/68/467371468.db2.gz VLXOYYYXTDCHNL-OKILXGFUSA-N 2 0 343.387 2.076 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420386657 467389161 /nfs/dbraw/zinc/38/91/61/467389161.db2.gz JDWFRXRPCRKZTO-QAPCUYQASA-N 2 0 349.431 2.192 20 5 EEBDRP [NH3+]C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000415102677 467490577 /nfs/dbraw/zinc/49/05/77/467490577.db2.gz BISPXDCPOOUMCE-MRXNPFEDSA-N 2 0 331.372 2.404 20 5 EEBDRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000592471226 468705148 /nfs/dbraw/zinc/70/51/48/468705148.db2.gz NICXHJYBMSNHQU-UHFFFAOYSA-N 2 0 332.404 2.140 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000593729525 469112414 /nfs/dbraw/zinc/11/24/14/469112414.db2.gz GNNFPCQKUHVIRF-NJAFHUGGSA-N 2 0 333.432 2.498 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000593729524 469112774 /nfs/dbraw/zinc/11/27/74/469112774.db2.gz GNNFPCQKUHVIRF-KBAYOESNSA-N 2 0 333.432 2.498 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593735988 469116205 /nfs/dbraw/zinc/11/62/05/469116205.db2.gz CJLKDDBTWNDLHH-RKVPGOIHSA-N 2 0 349.431 2.192 20 5 EEBDRP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C[NH+]1CCCC1 ZINC000602519077 469347463 /nfs/dbraw/zinc/34/74/63/469347463.db2.gz VFNOEVDJVPUQFV-HNNXBMFYSA-N 2 0 347.463 2.280 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000873010605 1198473918 /nfs/dbraw/zinc/47/39/18/1198473918.db2.gz MSLKFZRYHFALJU-UHFFFAOYSA-N 2 0 334.464 2.327 20 5 EEBDRP COc1cc(N2CCC([N@@H+]3CCC[C@@H]([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001246539922 1310335068 /nfs/dbraw/zinc/33/50/68/1310335068.db2.gz DPMGZIVEFUJZAF-CQSZACIVSA-N 2 0 348.447 2.385 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000817984841 785133026 /nfs/dbraw/zinc/13/30/26/785133026.db2.gz ASPKYIXZGSHYOL-UHFFFAOYSA-N 2 0 330.432 2.463 20 5 EEBDRP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000923344725 789421463 /nfs/dbraw/zinc/42/14/63/789421463.db2.gz HZOFTQHVTDBKKF-SFHVURJKSA-N 2 0 329.400 2.479 20 5 EEBDRP C[NH+](C)CCN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172909993 797168584 /nfs/dbraw/zinc/16/85/84/797168584.db2.gz WHIHCFDKXDCESB-SFHVURJKSA-N 2 0 346.475 2.021 20 5 EEBDRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001176879954 798610987 /nfs/dbraw/zinc/61/09/87/798610987.db2.gz NOJWQLIPFJCHCT-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000162489409 529771684 /nfs/dbraw/zinc/77/16/84/529771684.db2.gz ZOZOHEIJXZZXFZ-SFHVURJKSA-N 2 0 346.475 2.143 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000344844876 161250465 /nfs/dbraw/zinc/25/04/65/161250465.db2.gz CSIWDLJHUICMMQ-QZFKAFNDSA-N 2 0 332.448 2.224 20 5 EEBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740356 293283932 /nfs/dbraw/zinc/28/39/32/293283932.db2.gz NNJNXSMVIWTETD-DZGCQCFKSA-N 2 0 336.436 2.065 20 5 EEBDRP COc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1O ZINC000377830997 467147809 /nfs/dbraw/zinc/14/78/09/467147809.db2.gz IWNIICJKZYVJBO-LBPRGKRZSA-N 2 0 346.387 2.481 20 5 EEBDRP CN1CC[NH2+]C[C@@H]1CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000414983119 467459569 /nfs/dbraw/zinc/45/95/69/467459569.db2.gz ZXJCIZGTTUWPQK-CYBMUJFWSA-N 2 0 346.456 2.317 20 5 EEBDRP O=C(CC[NH2+]C1CC[NH+](CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000570154512 468596225 /nfs/dbraw/zinc/59/62/25/468596225.db2.gz CMZNLWPTQFWQKB-UHFFFAOYSA-N 2 0 346.431 2.387 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593736134 469116051 /nfs/dbraw/zinc/11/60/51/469116051.db2.gz GYCFPVBEHYKKLW-HDMKZQKVSA-N 2 0 349.431 2.192 20 5 EEBDRP CCC[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602588313 469374998 /nfs/dbraw/zinc/37/49/98/469374998.db2.gz VFVXPEMESRZEQN-UHFFFAOYSA-N 2 0 347.463 2.423 20 5 EEBDRP CC[NH+]1CCN(CCC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873011956 1198473778 /nfs/dbraw/zinc/47/37/78/1198473778.db2.gz LNAJIQBBOVHVOI-UHFFFAOYSA-N 2 0 334.464 2.329 20 5 EEBDRP COc1cc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923489984 789658350 /nfs/dbraw/zinc/65/83/50/789658350.db2.gz ZXBNPQRIUNVLIJ-SNVBAGLBSA-N 2 0 345.346 2.376 20 5 EEBDRP CCOC(=O)CC1([NH3+])CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173229485 797311803 /nfs/dbraw/zinc/31/18/03/797311803.db2.gz VCNJRDFCKVDBKA-CQSZACIVSA-N 2 0 349.431 2.272 20 5 EEBDRP CC(C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000064620259 462712298 /nfs/dbraw/zinc/71/22/98/462712298.db2.gz DZPIYQIEVDPKRU-AWEZNQCLSA-N 2 0 326.466 2.018 20 5 EEBDRP Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083849 463317776 /nfs/dbraw/zinc/31/77/76/463317776.db2.gz WYWXLKCEEVFBMP-AWEZNQCLSA-N 2 0 343.431 2.499 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338672 466722495 /nfs/dbraw/zinc/72/24/95/466722495.db2.gz UTRQCUNOJMMANW-CXAGYDPISA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420418654 467402213 /nfs/dbraw/zinc/40/22/13/467402213.db2.gz XCMJOMDSNGFMLT-JSGCOSHPSA-N 2 0 334.420 2.149 20 5 EEBDRP Cn1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414836273 467436078 /nfs/dbraw/zinc/43/60/78/467436078.db2.gz USEAGWDYBOBEPT-ZDUSSCGKSA-N 2 0 329.404 2.085 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[NH+]1CCC([C@H]3CCC[NH2+]3)CC1)OCCO2 ZINC000592424328 468694808 /nfs/dbraw/zinc/69/48/08/468694808.db2.gz HIVNTYFJACACTF-OAHLLOKOSA-N 2 0 347.415 2.330 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000592437213 468698150 /nfs/dbraw/zinc/69/81/50/468698150.db2.gz CYFOTDULMSGWSB-KGLIPLIRSA-N 2 0 347.415 2.188 20 5 EEBDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595505365 468880304 /nfs/dbraw/zinc/88/03/04/468880304.db2.gz SMKZIDHWLAFJDW-SFHVURJKSA-N 2 0 346.431 2.341 20 5 EEBDRP COc1c(O)ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000891774484 676824922 /nfs/dbraw/zinc/82/49/22/676824922.db2.gz CKEUBRZIKBBTPC-UHFFFAOYSA-N 2 0 337.420 2.473 20 5 EEBDRP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]CC[N+](=O)[O-])cc2)C[C@H]1C ZINC000905204229 694568272 /nfs/dbraw/zinc/56/82/72/694568272.db2.gz ZAFOWJPUTNTMPB-HZPDHXFCSA-N 2 0 335.448 2.062 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000878748605 1200652128 /nfs/dbraw/zinc/65/21/28/1200652128.db2.gz YEJZZPZJWLPJQR-GOSISDBHSA-N 2 0 342.399 2.236 20 5 EEBDRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843378282 1315903804 /nfs/dbraw/zinc/90/38/04/1315903804.db2.gz NKFLCAFNVSRAIR-GFCCVEGCSA-N 2 0 338.383 2.123 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)C1 ZINC000846225935 790093990 /nfs/dbraw/zinc/09/39/90/790093990.db2.gz ROKHKFKVZWXJQC-MJEQTWJJSA-N 2 0 337.395 2.452 20 5 EEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001173234100 797312516 /nfs/dbraw/zinc/31/25/16/797312516.db2.gz MNQALNILXXBMQO-VIFPVBQESA-N 2 0 341.462 2.410 20 5 EEBDRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337268077 465275930 /nfs/dbraw/zinc/27/59/30/465275930.db2.gz JUGOGUJNGABNKG-UHFFFAOYSA-N 2 0 334.420 2.341 20 5 EEBDRP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000108427974 463603935 /nfs/dbraw/zinc/60/39/35/463603935.db2.gz DYYUKQWZYYXPET-CQSZACIVSA-N 2 0 343.431 2.427 20 5 EEBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCC[NH+]1CCCC1 ZINC000281453582 464459654 /nfs/dbraw/zinc/45/96/54/464459654.db2.gz UTXAIKFXVVIVRE-CQSZACIVSA-N 2 0 334.420 2.340 20 5 EEBDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000272519358 464642637 /nfs/dbraw/zinc/64/26/37/464642637.db2.gz PSFSRCYWNLGGDR-UHFFFAOYSA-N 2 0 340.855 2.318 20 5 EEBDRP CCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000554526327 468414134 /nfs/dbraw/zinc/41/41/34/468414134.db2.gz SHNHGOYGFDSXQB-UHFFFAOYSA-N 2 0 334.420 2.387 20 5 EEBDRP COc1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000420335680 467363253 /nfs/dbraw/zinc/36/32/53/467363253.db2.gz KVBXELSMFKVACV-MRXNPFEDSA-N 2 0 349.431 2.446 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420380051 467386494 /nfs/dbraw/zinc/38/64/94/467386494.db2.gz BPRLSMKXPKAZQF-QAPCUYQASA-N 2 0 349.431 2.322 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420414689 467400100 /nfs/dbraw/zinc/40/01/00/467400100.db2.gz USFYOCHDYWIHGR-JSGCOSHPSA-N 2 0 334.420 2.149 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430553994 467438058 /nfs/dbraw/zinc/43/80/58/467438058.db2.gz LYZOGDYPWHWDQN-ZIAGYGMSSA-N 2 0 334.420 2.291 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415008643 467467372 /nfs/dbraw/zinc/46/73/72/467467372.db2.gz NBYHYOVWNYEJHY-AFAVFJNCSA-N 2 0 346.431 2.290 20 5 EEBDRP Cc1cc(NC[C@@H]2CCC[N@@H+]2CCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450591455 467875915 /nfs/dbraw/zinc/87/59/15/467875915.db2.gz FYXUUFNBKNELGA-HNNXBMFYSA-N 2 0 344.415 2.132 20 5 EEBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)C1([NH3+])CC1 ZINC001219005371 1297903526 /nfs/dbraw/zinc/90/35/26/1297903526.db2.gz MPEWRGHGTJXBFE-UHFFFAOYSA-N 2 0 336.395 2.386 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603653 1318140948 /nfs/dbraw/zinc/14/09/48/1318140948.db2.gz PRJQIGHYJDVUPG-IBGZPJMESA-N 2 0 348.491 2.267 20 5 EEBDRP COc1cc(N2CCC([NH2+][C@H]3CCC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256102782 1318649962 /nfs/dbraw/zinc/64/99/62/1318649962.db2.gz RJZPZZGDZZIFBC-ZFWWWQNUSA-N 2 0 348.447 2.432 20 5 EEBDRP [NH3+]CCc1cn(-c2cnc3cc([N+](=O)[O-])ccc3n2)c2cc[nH+]cc12 ZINC001160946268 1320326171 /nfs/dbraw/zinc/32/61/71/1320326171.db2.gz YTGRYWGADAKBNT-UHFFFAOYSA-N 2 0 334.339 2.378 20 5 EEBDRP C[C@H]1COC[C@@H]1[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308948870 1331609336 /nfs/dbraw/zinc/60/93/36/1331609336.db2.gz MWUISQPVFIJPLM-KXBFYZLASA-N 2 0 347.459 2.474 20 5 EEBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001336804609 1336597848 /nfs/dbraw/zinc/59/78/48/1336597848.db2.gz NJLLYKKYIIIUEJ-QAPCUYQASA-N 2 0 333.432 2.340 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247300367 160319365 /nfs/dbraw/zinc/31/93/65/160319365.db2.gz UQNZSOBPFIXRIX-WMLDXEAASA-N 2 0 346.431 2.258 20 5 EEBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423465463 295216059 /nfs/dbraw/zinc/21/60/59/295216059.db2.gz RZRQWZVHNGAHKO-WUAGCZLOSA-N 2 0 333.436 2.381 20 5 EEBDRP CN1CCNC[C@H]1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000414979014 313119212 /nfs/dbraw/zinc/11/92/12/313119212.db2.gz TTXAYRTWVXLSDA-HNNXBMFYSA-N 2 0 346.456 2.317 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000573711449 319959755 /nfs/dbraw/zinc/95/97/55/319959755.db2.gz UAELIUXTUIUHOV-MRXNPFEDSA-N 2 0 329.404 2.007 20 5 EEBDRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000150819415 463434078 /nfs/dbraw/zinc/43/40/78/463434078.db2.gz ZNPWKRJJPKOOBC-OAHLLOKOSA-N 2 0 346.431 2.341 20 5 EEBDRP C[N@@H+]1CCN(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000282511416 464847228 /nfs/dbraw/zinc/84/72/28/464847228.db2.gz XLVHKFSCZDHVNM-SOFGYWHQSA-N 2 0 332.448 2.224 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420338433 467365554 /nfs/dbraw/zinc/36/55/54/467365554.db2.gz XZDGFKQYICAKPT-GJZGRUSLSA-N 2 0 349.431 2.304 20 5 EEBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346189 467371365 /nfs/dbraw/zinc/37/13/65/467371365.db2.gz XPFRRIFGIGDRJB-QLFBSQMISA-N 2 0 346.431 2.243 20 5 EEBDRP C[NH2+]C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430962152 467483097 /nfs/dbraw/zinc/48/30/97/467483097.db2.gz PWKGLPQQTQERMF-CYBMUJFWSA-N 2 0 330.388 2.334 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000449146808 467620796 /nfs/dbraw/zinc/62/07/96/467620796.db2.gz DPOKNURNHOYZBY-RDJZCZTQSA-N 2 0 335.448 2.352 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000449191567 467622496 /nfs/dbraw/zinc/62/24/96/467622496.db2.gz PKKIMMZNFARVTM-NIKGAXFTSA-N 2 0 347.459 2.493 20 5 EEBDRP COc1c(O)ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001579136476 1344342030 /nfs/dbraw/zinc/34/20/30/1344342030.db2.gz LJUMZTGNHHDVCT-CYBMUJFWSA-N 2 0 335.404 2.131 20 5 EEBDRP COC1CC[NH+](C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169046756 803592840 /nfs/dbraw/zinc/59/28/40/803592840.db2.gz MOPVAMNVRCWTPL-GOEBONIOSA-N 2 0 325.453 2.007 20 5 EEBDRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000422929795 240295293 /nfs/dbraw/zinc/29/52/93/240295293.db2.gz ABFMKRSJKKXTPS-ZDUSSCGKSA-N 2 0 335.404 2.006 20 5 EEBDRP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000118843071 221195336 /nfs/dbraw/zinc/19/53/36/221195336.db2.gz HXRNXEWEIIPUDB-CQSZACIVSA-N 2 0 334.420 2.197 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352510642 162164615 /nfs/dbraw/zinc/16/46/15/162164615.db2.gz OHGSEDPQQBBDGE-AWEZNQCLSA-N 2 0 334.420 2.435 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000449253616 279382521 /nfs/dbraw/zinc/38/25/21/279382521.db2.gz ZNWIEUNLJRVWDA-JKSUJKDBSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC[NH2+]1 ZINC000414952013 313113828 /nfs/dbraw/zinc/11/38/28/313113828.db2.gz QKOLWCLQOVKQST-DOMZBBRYSA-N 2 0 329.404 2.225 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338673 466722280 /nfs/dbraw/zinc/72/22/80/466722280.db2.gz UTRQCUNOJMMANW-DYVFJYSZSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332473 467362319 /nfs/dbraw/zinc/36/23/19/467362319.db2.gz CZUDLHPXJSXLDR-GJZGRUSLSA-N 2 0 346.431 2.163 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420382082 467387271 /nfs/dbraw/zinc/38/72/71/467387271.db2.gz DKCXUGVSCQNGRX-AEFFLSMTSA-N 2 0 333.432 2.356 20 5 EEBDRP COc1ccc(OCC[N@H+](C)CC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000430584333 467445697 /nfs/dbraw/zinc/44/56/97/467445697.db2.gz PCCKNYOXDWPQEP-CQSZACIVSA-N 2 0 325.409 2.287 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000435621117 467482672 /nfs/dbraw/zinc/48/26/72/467482672.db2.gz IWQCTOZFKNBCEK-CQSZACIVSA-N 2 0 334.420 2.306 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000873260887 1198543960 /nfs/dbraw/zinc/54/39/60/1198543960.db2.gz JLNUAWDSGTWOJC-YIDVYQOGSA-N 2 0 333.436 2.395 20 5 EEBDRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876773272 1199768226 /nfs/dbraw/zinc/76/82/26/1199768226.db2.gz YEBHOOQHFYZNCG-CRAIPNDOSA-N 2 0 348.447 2.102 20 5 EEBDRP CC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001229895718 1302979314 /nfs/dbraw/zinc/97/93/14/1302979314.db2.gz NZMUEGJEPGKIIW-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP Cc1cc(N2CC[NH+](CCCCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000782953386 1304159686 /nfs/dbraw/zinc/15/96/86/1304159686.db2.gz QUCMEOXJZGTECE-UHFFFAOYSA-N 2 0 344.415 2.346 20 5 EEBDRP O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3CC[NH2+]CC3)CC2)c(F)c1 ZINC001246072913 1310230758 /nfs/dbraw/zinc/23/07/58/1310230758.db2.gz NASNAVDGALUFGJ-UHFFFAOYSA-N 2 0 340.374 2.183 20 5 EEBDRP COc1cc(N2CCC([NH2+][C@@H]3CCCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001246093895 1310235056 /nfs/dbraw/zinc/23/50/56/1310235056.db2.gz YKLLSOIKFBGVSS-OAHLLOKOSA-N 2 0 348.447 2.304 20 5 EEBDRP C[C@H](N[C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001576235472 1343986494 /nfs/dbraw/zinc/98/64/94/1343986494.db2.gz UVFPMOJGZCNFBF-HJIKLVIJSA-N 2 0 340.811 2.291 20 5 EEBDRP [NH3+][C@H]1CC[C@H]([N@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CCOCC2)CC1 ZINC001168999926 803565281 /nfs/dbraw/zinc/56/52/81/803565281.db2.gz WHQQJTWBGDUREN-ANQUJSFKSA-N 2 0 325.453 2.183 20 5 EEBDRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858166 216319179 /nfs/dbraw/zinc/31/91/79/216319179.db2.gz YZODSOFTEWRVTB-CQSZACIVSA-N 2 0 334.420 2.197 20 5 EEBDRP COc1cc(C[N@H+](C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000093088934 218192909 /nfs/dbraw/zinc/19/29/09/218192909.db2.gz PPYVNNYHMBXULO-UHFFFAOYSA-N 2 0 337.420 2.386 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000423548373 285168550 /nfs/dbraw/zinc/16/85/50/285168550.db2.gz QXNVKDAQKWTSAX-ARKGTOAJSA-N 2 0 333.436 2.253 20 5 EEBDRP COc1ccc(OCCN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000248159240 160338963 /nfs/dbraw/zinc/33/89/63/160338963.db2.gz RVYMZDVJYUGQEX-GOEBONIOSA-N 2 0 349.431 2.398 20 5 EEBDRP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293742016 293283861 /nfs/dbraw/zinc/28/38/61/293283861.db2.gz NOMFHQUFKDUUIX-AWEZNQCLSA-N 2 0 349.479 2.101 20 5 EEBDRP Cc1nccn1CCC[N@@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000136303499 463234296 /nfs/dbraw/zinc/23/42/96/463234296.db2.gz GKPHEVCKVSYLHA-UHFFFAOYSA-N 2 0 346.387 2.488 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cccc1[N+](=O)[O-] ZINC000420342583 467368957 /nfs/dbraw/zinc/36/89/57/467368957.db2.gz RBOKRTFCUNOCHL-GASCZTMLSA-N 2 0 346.431 2.163 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420369808 467381529 /nfs/dbraw/zinc/38/15/29/467381529.db2.gz ONPGVSATWXDJMH-BTJLNZGRSA-N 2 0 334.420 2.208 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420383981 467388431 /nfs/dbraw/zinc/38/84/31/467388431.db2.gz QZLMPTPTOCAHTA-SJLPKXTDSA-N 2 0 349.431 2.322 20 5 EEBDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435375925 467463834 /nfs/dbraw/zinc/46/38/34/467463834.db2.gz OXVRYZNRGSJPMH-JSGCOSHPSA-N 2 0 329.404 2.164 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000447530346 467587904 /nfs/dbraw/zinc/58/79/04/467587904.db2.gz MIHZBBDMESQZPF-YHUYYLMFSA-N 2 0 333.436 2.491 20 5 EEBDRP CC(C)[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000449075319 467616758 /nfs/dbraw/zinc/61/67/58/467616758.db2.gz MQJLSMKCDVLQCH-VQIMIIECSA-N 2 0 348.491 2.387 20 5 EEBDRP COc1ccc(OCCN2CCC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506191 468880631 /nfs/dbraw/zinc/88/06/31/468880631.db2.gz BDSMGMVZDQENAW-GOSISDBHSA-N 2 0 349.431 2.400 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602553526 469358927 /nfs/dbraw/zinc/35/89/27/469358927.db2.gz COIAOWUWYOLAIK-UHFFFAOYSA-N 2 0 347.337 2.160 20 5 EEBDRP O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903752595 1241833420 /nfs/dbraw/zinc/83/34/20/1241833420.db2.gz ODPYEDKBMAZILD-ZWKOTPCHSA-N 2 0 331.416 2.328 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+](C)C2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000843354002 1315898345 /nfs/dbraw/zinc/89/83/45/1315898345.db2.gz PZENWGQLQFORSS-UHFFFAOYSA-N 2 0 334.420 2.434 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC001326584281 1334119267 /nfs/dbraw/zinc/11/92/67/1334119267.db2.gz UNIQAVNJIDZZOB-UHFFFAOYSA-N 2 0 349.431 2.448 20 5 EEBDRP C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001578480922 1403761992 /nfs/dbraw/zinc/76/19/92/1403761992.db2.gz PMKMRZYWPATHQZ-UHFFFAOYSA-N 2 0 344.415 2.272 20 5 EEBDRP C[NH+](C)CCOc1cc(N(CC[NH3+])c2cccnc2)ccc1[N+](=O)[O-] ZINC001168838127 803463951 /nfs/dbraw/zinc/46/39/51/803463951.db2.gz PLCNMWHMCWGGNW-UHFFFAOYSA-N 2 0 345.403 2.027 20 5 EEBDRP [NH3+][C@H]1CC[C@H]([N@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CCOCC2)CC1 ZINC001168999929 803564981 /nfs/dbraw/zinc/56/49/81/803564981.db2.gz WHQQJTWBGDUREN-QBYUYEEZSA-N 2 0 325.453 2.183 20 5 EEBDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041482 240339952 /nfs/dbraw/zinc/33/99/52/240339952.db2.gz JCEJBYSJTZHMKQ-GDLCADMTSA-N 2 0 327.812 2.133 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CCOc1cccc([N+](=O)[O-])c1 ZINC000374420308 167039268 /nfs/dbraw/zinc/03/92/68/167039268.db2.gz LHJOOGWBAUUSPC-FHLIZLRMSA-N 2 0 349.431 2.157 20 5 EEBDRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000411477462 312541492 /nfs/dbraw/zinc/54/14/92/312541492.db2.gz RZOXKYLFSUMFDQ-AWEZNQCLSA-N 2 0 348.447 2.154 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414904032 313110895 /nfs/dbraw/zinc/11/08/95/313110895.db2.gz JLORPAWHQAVAFO-SUMWQHHRSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000443056822 315226648 /nfs/dbraw/zinc/22/66/48/315226648.db2.gz DFOBWNJTSGAAMU-CQSZACIVSA-N 2 0 334.420 2.293 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420383983 467388990 /nfs/dbraw/zinc/38/89/90/467388990.db2.gz QZLMPTPTOCAHTA-WMZOPIPTSA-N 2 0 349.431 2.322 20 5 EEBDRP [NH3+]C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1 ZINC000415102674 467490267 /nfs/dbraw/zinc/49/02/67/467490267.db2.gz BISPXDCPOOUMCE-INIZCTEOSA-N 2 0 331.372 2.404 20 5 EEBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592489558 468710891 /nfs/dbraw/zinc/71/08/91/468710891.db2.gz YSWBPXFAGCUPAD-HIFRSBDPSA-N 2 0 334.420 2.291 20 5 EEBDRP C[N@@H+]1CCCN(CCC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000729684782 576672476 /nfs/dbraw/zinc/67/24/76/576672476.db2.gz WTSQWQOJJAHTQA-XBXARRHUSA-N 2 0 332.448 2.225 20 5 EEBDRP COc1ccc(C[C@H](C)[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001246931857 1310468889 /nfs/dbraw/zinc/46/88/89/1310468889.db2.gz NVGKMMDQEHZOFQ-CWRNSKLLSA-N 2 0 333.432 2.466 20 5 EEBDRP COc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001248470530 1310907726 /nfs/dbraw/zinc/90/77/26/1310907726.db2.gz MTOSWGDZDJCUFS-UHFFFAOYSA-N 2 0 343.387 2.494 20 5 EEBDRP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577684923 1403668231 /nfs/dbraw/zinc/66/82/31/1403668231.db2.gz PKIDYQYISJWIFY-DYVFJYSZSA-N 2 0 336.436 2.005 20 5 EEBDRP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577684924 1403668306 /nfs/dbraw/zinc/66/83/06/1403668306.db2.gz PKIDYQYISJWIFY-GUYCJALGSA-N 2 0 336.436 2.005 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000923359786 789451318 /nfs/dbraw/zinc/45/13/18/789451318.db2.gz VGBXOHDAVSHTIC-LZLYRXPVSA-N 2 0 333.432 2.340 20 5 EEBDRP CC[NH+](CC)CCN1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173230016 797311755 /nfs/dbraw/zinc/31/17/55/797311755.db2.gz XGXSOGYBWVKPRC-KRWDZBQOSA-N 2 0 348.491 2.485 20 5 EEBDRP CC(C)(C)[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001169023909 803589745 /nfs/dbraw/zinc/58/97/45/803589745.db2.gz VHYMKVPKKFXWRN-OAGGEKHMSA-N 2 0 339.480 2.443 20 5 EEBDRP COc1cc[nH+]c(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)c1 ZINC001169050622 803595402 /nfs/dbraw/zinc/59/54/02/803595402.db2.gz BYXCTJKCELJIIH-HIFRSBDPSA-N 2 0 334.420 2.094 20 5 EEBDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091600 240362082 /nfs/dbraw/zinc/36/20/82/240362082.db2.gz XUGSRYDIZYEVCX-HERUPUMHSA-N 2 0 347.337 2.456 20 5 EEBDRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000422947890 240302357 /nfs/dbraw/zinc/30/23/57/240302357.db2.gz QSACJGXSVBAAQH-CYBMUJFWSA-N 2 0 335.404 2.006 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2CCCC[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000352477404 162150213 /nfs/dbraw/zinc/15/02/13/162150213.db2.gz LCJSGZWDXOQGSY-AWEZNQCLSA-N 2 0 334.420 2.435 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CCOc1cccc([N+](=O)[O-])c1 ZINC000374420310 167038639 /nfs/dbraw/zinc/03/86/39/167038639.db2.gz LHJOOGWBAUUSPC-OLMNPRSZSA-N 2 0 349.431 2.157 20 5 EEBDRP Cc1cc(N2CCC([NH2+]CCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290997698 275259327 /nfs/dbraw/zinc/25/93/27/275259327.db2.gz UTAJGMIZOBLYJP-UHFFFAOYSA-N 2 0 330.388 2.002 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423479102 466755098 /nfs/dbraw/zinc/75/50/98/466755098.db2.gz LSQZOOYKJWZRGN-KGLIPLIRSA-N 2 0 334.420 2.434 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000592437216 468697937 /nfs/dbraw/zinc/69/79/37/468697937.db2.gz CYFOTDULMSGWSB-UONOGXRCSA-N 2 0 347.415 2.188 20 5 EEBDRP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730767 469113201 /nfs/dbraw/zinc/11/32/01/469113201.db2.gz FKZDVRCJGJTJFO-HIFRSBDPSA-N 2 0 334.420 2.373 20 5 EEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892574836 681829075 /nfs/dbraw/zinc/82/90/75/681829075.db2.gz NSKCYPPICRHRJS-ZDUSSCGKSA-N 2 0 340.855 2.364 20 5 EEBDRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876773273 1199767605 /nfs/dbraw/zinc/76/76/05/1199767605.db2.gz YEBHOOQHFYZNCG-MAUKXSAKSA-N 2 0 348.447 2.102 20 5 EEBDRP COc1cc(N2CCC([N@H+](C)C[C@@H](C)C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001256101682 1318647395 /nfs/dbraw/zinc/64/73/95/1318647395.db2.gz ONNIBZRROXFVHM-ZDUSSCGKSA-N 2 0 336.436 2.099 20 5 EEBDRP O=C(CC[NH+]1CCCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176930669 798633896 /nfs/dbraw/zinc/63/38/96/798633896.db2.gz PSLKAYJJDKGLDZ-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC001168992541 803559737 /nfs/dbraw/zinc/55/97/37/803559737.db2.gz KNLASRZRSJVKBW-ZWKOTPCHSA-N 2 0 332.448 2.329 20 5 EEBDRP C[N@H+](C1CCOCC1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169034905 803579279 /nfs/dbraw/zinc/57/92/79/803579279.db2.gz IMJYDRFKINIQLE-PBHICJAKSA-N 2 0 325.453 2.007 20 5 EEBDRP CCC[NH+](CCC)CCN1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036790 803580916 /nfs/dbraw/zinc/58/09/16/803580916.db2.gz HIFJHNMVJCOXNY-ZWKOTPCHSA-N 2 0 340.512 2.171 20 5 EEBDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039489 803581930 /nfs/dbraw/zinc/58/19/30/803581930.db2.gz QBBZJOWTJBZPCL-ROUUACIJSA-N 2 0 342.528 2.417 20 5 EEBDRP C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374919025 167068958 /nfs/dbraw/zinc/06/89/58/167068958.db2.gz SXMNALPUTWNBLK-RDJZCZTQSA-N 2 0 343.431 2.292 20 5 EEBDRP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC12CCOCC2 ZINC000414780884 313086839 /nfs/dbraw/zinc/08/68/39/313086839.db2.gz MCFQOWUAFCSWIU-OICCZTGUSA-N 2 0 331.416 2.295 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414960925 313115986 /nfs/dbraw/zinc/11/59/86/313115986.db2.gz AUXBFWSXHPZGHA-KGLIPLIRSA-N 2 0 334.420 2.434 20 5 EEBDRP CC(C)[NH+]1CCC([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564843921 319116904 /nfs/dbraw/zinc/11/69/04/319116904.db2.gz GXAGWSZQAWZUHG-UHFFFAOYSA-N 2 0 334.420 2.386 20 5 EEBDRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576886465 320212924 /nfs/dbraw/zinc/21/29/24/320212924.db2.gz LDDHQUDSHPTDJJ-KRWDZBQOSA-N 2 0 332.448 2.199 20 5 EEBDRP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000283919555 464042283 /nfs/dbraw/zinc/04/22/83/464042283.db2.gz DOYMWDNHKIYORY-KBXCAEBGSA-N 2 0 349.479 2.100 20 5 EEBDRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000433145266 467298691 /nfs/dbraw/zinc/29/86/91/467298691.db2.gz GLLVRHMMQPGPKC-QGZVFWFLSA-N 2 0 348.447 2.365 20 5 EEBDRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420389341 467390872 /nfs/dbraw/zinc/39/08/72/467390872.db2.gz YCSISCGDQOTQTL-ROUUACIJSA-N 2 0 349.431 2.192 20 5 EEBDRP CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431070430 467491896 /nfs/dbraw/zinc/49/18/96/467491896.db2.gz KZOGHOPQMRLLDE-UHFFFAOYSA-N 2 0 337.420 2.446 20 5 EEBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592489561 468710851 /nfs/dbraw/zinc/71/08/51/468710851.db2.gz YSWBPXFAGCUPAD-ZFWWWQNUSA-N 2 0 334.420 2.291 20 5 EEBDRP CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659172 469329272 /nfs/dbraw/zinc/32/92/72/469329272.db2.gz DWGPBWKXNOMPPE-UHFFFAOYSA-N 2 0 331.420 2.375 20 5 EEBDRP C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903758189 1241854494 /nfs/dbraw/zinc/85/44/94/1241854494.db2.gz JIYMDGMMEBRGLZ-INIZCTEOSA-N 2 0 333.432 2.228 20 5 EEBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cc(O)cc([N+](=O)[O-])c2)CC1 ZINC001199828559 1285871092 /nfs/dbraw/zinc/87/10/92/1285871092.db2.gz MMCWYNKZNXSTGH-UHFFFAOYSA-N 2 0 329.360 2.191 20 5 EEBDRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246548060 1310336401 /nfs/dbraw/zinc/33/64/01/1310336401.db2.gz FIBWTAUHWQBMDL-SJLPKXTDSA-N 2 0 333.432 2.018 20 5 EEBDRP CC[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1[NH3+] ZINC000843376787 1315903472 /nfs/dbraw/zinc/90/34/72/1315903472.db2.gz DJWNIKAXVUGQHP-SMDDNHRTSA-N 2 0 338.383 2.122 20 5 EEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000923390868 789478830 /nfs/dbraw/zinc/47/88/30/789478830.db2.gz WMGMWSUXLCTPCG-WMZOPIPTSA-N 2 0 333.432 2.340 20 5 EEBDRP COc1ccc(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC001176363523 798441401 /nfs/dbraw/zinc/44/14/01/798441401.db2.gz PCVROCLZLAXKRW-UHFFFAOYSA-N 2 0 343.387 2.494 20 5 EEBDRP O=C(CCC[NH+]1CCCCC1)NCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001151361497 801763058 /nfs/dbraw/zinc/76/30/58/801763058.db2.gz IXZVXXJXNJUZFW-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041484 240340624 /nfs/dbraw/zinc/34/06/24/240340624.db2.gz JCEJBYSJTZHMKQ-ZLKJLUDKSA-N 2 0 327.812 2.133 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000344791878 161246171 /nfs/dbraw/zinc/24/61/71/161246171.db2.gz LHOKOLREJUGFCG-NIFLVVHWSA-N 2 0 346.475 2.471 20 5 EEBDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000266507404 276201555 /nfs/dbraw/zinc/20/15/55/276201555.db2.gz CKADCKUYZGBBDX-CVEARBPZSA-N 2 0 332.448 2.368 20 5 EEBDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000373140245 466705200 /nfs/dbraw/zinc/70/52/00/466705200.db2.gz MNUBPXHNQPEPED-MAUKXSAKSA-N 2 0 343.431 2.292 20 5 EEBDRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000430658295 467456548 /nfs/dbraw/zinc/45/65/48/467456548.db2.gz XECWILRKXIGHEO-AWEZNQCLSA-N 2 0 334.420 2.163 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000453106657 467460627 /nfs/dbraw/zinc/46/06/27/467460627.db2.gz ZCMOAZFMECBZQQ-MRXNPFEDSA-N 2 0 334.464 2.143 20 5 EEBDRP C[C@@H](C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000892930025 683205117 /nfs/dbraw/zinc/20/51/17/683205117.db2.gz ZWCYZMBBDDBKQY-ZDUSSCGKSA-N 2 0 340.855 2.221 20 5 EEBDRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1)C1CCCC1 ZINC000872158648 1198064179 /nfs/dbraw/zinc/06/41/79/1198064179.db2.gz WRHHAEZXDJMKOY-ZBFHGGJFSA-N 2 0 335.452 2.411 20 5 EEBDRP COc1cc(N2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC001246093891 1310235264 /nfs/dbraw/zinc/23/52/64/1310235264.db2.gz YKLLSOIKFBGVSS-HNNXBMFYSA-N 2 0 348.447 2.304 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCC(F)(C[NH3+])CC2)c1F ZINC001246618755 1310358573 /nfs/dbraw/zinc/35/85/73/1310358573.db2.gz KUNYEJSRXGUHOO-NSHDSACASA-N 2 0 343.374 2.436 20 5 EEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000832546392 1314684411 /nfs/dbraw/zinc/68/44/11/1314684411.db2.gz ZXOIMZCTRSEIKF-UHFFFAOYSA-N 2 0 338.427 2.240 20 5 EEBDRP CCC(CC)[NH+]1CCC(Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1 ZINC001161100659 1320383019 /nfs/dbraw/zinc/38/30/19/1320383019.db2.gz MEEKXXYETGBAEP-UHFFFAOYSA-N 2 0 348.451 2.137 20 5 EEBDRP CC(C)[NH+]1CCN(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234609 797312742 /nfs/dbraw/zinc/31/27/42/797312742.db2.gz PRGQHDGXCXLRGW-INIZCTEOSA-N 2 0 334.464 2.141 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001168997331 803563193 /nfs/dbraw/zinc/56/31/93/803563193.db2.gz YTAAAUYILXFZKY-AEFFLSMTSA-N 2 0 332.448 2.329 20 5 EEBDRP CCC[NH+](CCC)CCN1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036778 803580023 /nfs/dbraw/zinc/58/00/23/803580023.db2.gz HIFJHNMVJCOXNY-MSOLQXFVSA-N 2 0 340.512 2.171 20 5 EEBDRP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369882609 166350132 /nfs/dbraw/zinc/35/01/32/166350132.db2.gz LNNWWMBPEYWIKX-ZBFHGGJFSA-N 2 0 332.448 2.414 20 5 EEBDRP Cc1ccc([C@@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000433119435 314748184 /nfs/dbraw/zinc/74/81/84/314748184.db2.gz VGKBKZVONKOPSZ-CQSZACIVSA-N 2 0 348.447 2.284 20 5 EEBDRP CN(CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000177386106 465002610 /nfs/dbraw/zinc/00/26/10/465002610.db2.gz RASYGTVTCBJIID-UHFFFAOYSA-N 2 0 334.464 2.095 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000371295406 465696249 /nfs/dbraw/zinc/69/62/49/465696249.db2.gz RDHINXIRHSGJCS-KZNAEPCWSA-N 2 0 333.432 2.321 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423255289 466704958 /nfs/dbraw/zinc/70/49/58/466704958.db2.gz BNMFDOSKKJNTRH-KGLIPLIRSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420414690 467399856 /nfs/dbraw/zinc/39/98/56/467399856.db2.gz USFYOCHDYWIHGR-OCCSQVGLSA-N 2 0 334.420 2.149 20 5 EEBDRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595505485 468880797 /nfs/dbraw/zinc/88/07/97/468880797.db2.gz UUMRICXOSJGVRZ-GOSISDBHSA-N 2 0 346.431 2.341 20 5 EEBDRP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCN1C ZINC000602558867 469360475 /nfs/dbraw/zinc/36/04/75/469360475.db2.gz FXMFHPYBZIDWHY-UKRRQHHQSA-N 2 0 333.436 2.031 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000873069346 1198490395 /nfs/dbraw/zinc/49/03/95/1198490395.db2.gz CZRFCFSPHGQJMD-UHFFFAOYSA-N 2 0 334.464 2.327 20 5 EEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000878748606 1200652606 /nfs/dbraw/zinc/65/26/06/1200652606.db2.gz YEJZZPZJWLPJQR-SFHVURJKSA-N 2 0 342.399 2.236 20 5 EEBDRP O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903752592 1241832288 /nfs/dbraw/zinc/83/22/88/1241832288.db2.gz ODPYEDKBMAZILD-MSOLQXFVSA-N 2 0 331.416 2.328 20 5 EEBDRP COc1c(O)ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC001579136478 1344341994 /nfs/dbraw/zinc/34/19/94/1344341994.db2.gz LJUMZTGNHHDVCT-ZDUSSCGKSA-N 2 0 335.404 2.131 20 5 EEBDRP C[N@@H+]1CCCN(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172913210 797171162 /nfs/dbraw/zinc/17/11/62/797171162.db2.gz USYNQJXCGHMEMM-GOSISDBHSA-N 2 0 346.475 2.069 20 5 EEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000423427620 285168971 /nfs/dbraw/zinc/16/89/71/285168971.db2.gz GAEPFMWZSFTTEP-JONQDZQNSA-N 2 0 333.436 2.253 20 5 EEBDRP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000369882608 166350078 /nfs/dbraw/zinc/35/00/78/166350078.db2.gz LNNWWMBPEYWIKX-HOCLYGCPSA-N 2 0 332.448 2.414 20 5 EEBDRP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCN1CC[NH+](C)CC1 ZINC000289431321 275115514 /nfs/dbraw/zinc/11/55/14/275115514.db2.gz KTADBOZNJZPYAQ-VMPITWQZSA-N 2 0 332.448 2.177 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054813 315225555 /nfs/dbraw/zinc/22/55/55/315225555.db2.gz AGFWTJFFFVLEAU-CQSZACIVSA-N 2 0 334.420 2.293 20 5 EEBDRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000357083338 465756265 /nfs/dbraw/zinc/75/62/65/465756265.db2.gz OYSGFBLGMPHVMQ-OAHLLOKOSA-N 2 0 346.431 2.245 20 5 EEBDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000373140248 466705181 /nfs/dbraw/zinc/70/51/81/466705181.db2.gz MNUBPXHNQPEPED-YJBOKZPZSA-N 2 0 343.431 2.292 20 5 EEBDRP CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435630227 467483982 /nfs/dbraw/zinc/48/39/82/467483982.db2.gz WNNOAEUCZDKGOP-CQSZACIVSA-N 2 0 337.420 2.446 20 5 EEBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592489133 468709581 /nfs/dbraw/zinc/70/95/81/468709581.db2.gz RENPHSVPLQATTM-ZIAGYGMSSA-N 2 0 334.420 2.291 20 5 EEBDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892535580 681617190 /nfs/dbraw/zinc/61/71/90/681617190.db2.gz NPZFEZPIULGNSU-UHFFFAOYSA-N 2 0 340.855 2.364 20 5 EEBDRP Cc1nc(Cl)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160945809 1320326547 /nfs/dbraw/zinc/32/65/47/1320326547.db2.gz NDKWLDCOCDGRTO-UHFFFAOYSA-N 2 0 332.751 2.187 20 5 EEBDRP O=[N+]([O-])c1ccc2c(c1)CN(C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC001336277306 1336511648 /nfs/dbraw/zinc/51/16/48/1336511648.db2.gz PAKNQFJDSLGFBG-KRWDZBQOSA-N 2 0 331.416 2.112 20 5 EEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC001336802059 1336597395 /nfs/dbraw/zinc/59/73/95/1336597395.db2.gz AOKOHMRFBMQASB-YJBOKZPZSA-N 2 0 333.432 2.340 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168983655 803547669 /nfs/dbraw/zinc/54/76/69/803547669.db2.gz KIGSWTLWLKIBTH-ZWKOTPCHSA-N 2 0 347.459 2.049 20 5 EEBDRP COC1CC[NH+](C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169046758 803592743 /nfs/dbraw/zinc/59/27/43/803592743.db2.gz MOPVAMNVRCWTPL-ZBFHGGJFSA-N 2 0 325.453 2.007 20 5 EEBDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000344161425 161203981 /nfs/dbraw/zinc/20/39/81/161203981.db2.gz YBUNDEYZNBSUFG-UHFFFAOYSA-N 2 0 334.464 2.444 20 5 EEBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293740363 293283790 /nfs/dbraw/zinc/28/37/90/293283790.db2.gz NNJNXSMVIWTETD-ZFWWWQNUSA-N 2 0 336.436 2.065 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000299442663 294744310 /nfs/dbraw/zinc/74/43/10/294744310.db2.gz YGAYKSHVFWZSJH-UHFFFAOYSA-N 2 0 342.465 2.002 20 5 EEBDRP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000414787169 313089062 /nfs/dbraw/zinc/08/90/62/313089062.db2.gz VEGYVFNINUGTMP-KBPBESRZSA-N 2 0 349.431 2.434 20 5 EEBDRP C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367026826 466080604 /nfs/dbraw/zinc/08/06/04/466080604.db2.gz DDCPDWHIKUAGFS-VQIMIIECSA-N 2 0 346.475 2.095 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591579384 468486234 /nfs/dbraw/zinc/48/62/34/468486234.db2.gz VFUFVBFYVGNRRA-DOMZBBRYSA-N 2 0 332.404 2.044 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423552500 466772747 /nfs/dbraw/zinc/77/27/47/466772747.db2.gz VCBOVQGMANQOHJ-ORIJERBGSA-N 2 0 346.431 2.290 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420333795 467362650 /nfs/dbraw/zinc/36/26/50/467362650.db2.gz FTKVSFNBJJVADT-HUUCEWRRSA-N 2 0 346.431 2.163 20 5 EEBDRP Cc1c(NC(=O)CC[NH2+][C@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000420368170 467381462 /nfs/dbraw/zinc/38/14/62/467381462.db2.gz UEEMJBQCWAOTGG-HNNXBMFYSA-N 2 0 334.420 2.210 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420380050 467386418 /nfs/dbraw/zinc/38/64/18/467386418.db2.gz BPRLSMKXPKAZQF-MAUKXSAKSA-N 2 0 349.431 2.322 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000449300747 467629543 /nfs/dbraw/zinc/62/95/43/467629543.db2.gz FMECEKCGHDVXLF-OAHLLOKOSA-N 2 0 334.464 2.141 20 5 EEBDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000562960419 469115382 /nfs/dbraw/zinc/11/53/82/469115382.db2.gz UREARYUDJAKRHU-GFCCVEGCSA-N 2 0 330.388 2.487 20 5 EEBDRP C[C@@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246116094 1310239218 /nfs/dbraw/zinc/23/92/18/1310239218.db2.gz UUOYXGVFZVPWPN-HUUCEWRRSA-N 2 0 332.448 2.399 20 5 EEBDRP COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]CC1 ZINC000841067484 1315466609 /nfs/dbraw/zinc/46/66/09/1315466609.db2.gz AYFDFUXAOPYBAJ-UHFFFAOYSA-N 2 0 327.812 2.354 20 5 EEBDRP CSC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000819322642 785506711 /nfs/dbraw/zinc/50/67/11/785506711.db2.gz UPKRUCVPEXPPHD-OAHLLOKOSA-N 2 0 339.461 2.045 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168983653 803546791 /nfs/dbraw/zinc/54/67/91/803546791.db2.gz KIGSWTLWLKIBTH-QZTJIDSGSA-N 2 0 347.459 2.049 20 5 EEBDRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422633828 240166202 /nfs/dbraw/zinc/16/62/02/240166202.db2.gz ISKUZUNBXZEYCB-HZSPNIEDSA-N 2 0 334.420 2.229 20 5 EEBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)CC1 ZINC000107371558 204236301 /nfs/dbraw/zinc/23/63/01/204236301.db2.gz KBUVVBKWIJKNLO-QGZVFWFLSA-N 2 0 332.448 2.115 20 5 EEBDRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)CC1 ZINC000369414954 166256423 /nfs/dbraw/zinc/25/64/23/166256423.db2.gz YQGMCRYSAXSITK-KRWDZBQOSA-N 2 0 332.448 2.195 20 5 EEBDRP Cc1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000185888110 274023506 /nfs/dbraw/zinc/02/35/06/274023506.db2.gz BVNLAVCNWDQSRF-UHFFFAOYSA-N 2 0 334.464 2.409 20 5 EEBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192842855 274485953 /nfs/dbraw/zinc/48/59/53/274485953.db2.gz NZJPTIXKVCSAMF-KDOFPFPSSA-N 2 0 332.448 2.198 20 5 EEBDRP O=[N+]([O-])c1ccccc1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344555127 465672774 /nfs/dbraw/zinc/67/27/74/465672774.db2.gz XVZJYLKBUGHPDN-IBGZPJMESA-N 2 0 341.411 2.321 20 5 EEBDRP C[C@H]1CC2(C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424283304 467020799 /nfs/dbraw/zinc/02/07/99/467020799.db2.gz BHDBVJDMHUAMAJ-AWEZNQCLSA-N 2 0 346.431 2.022 20 5 EEBDRP Cn1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435392778 467465973 /nfs/dbraw/zinc/46/59/73/467465973.db2.gz XQKBWARKJZMXCI-JQFCIGGWSA-N 2 0 341.415 2.164 20 5 EEBDRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000430930028 467477454 /nfs/dbraw/zinc/47/74/54/467477454.db2.gz RBVAATMRRMOILK-UHFFFAOYSA-N 2 0 334.420 2.163 20 5 EEBDRP C[NH2+]C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430962153 467483428 /nfs/dbraw/zinc/48/34/28/467483428.db2.gz PWKGLPQQTQERMF-ZDUSSCGKSA-N 2 0 330.388 2.334 20 5 EEBDRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000799736248 1305396083 /nfs/dbraw/zinc/39/60/83/1305396083.db2.gz JSZMSFSRCFEUTA-UHFFFAOYSA-N 2 0 340.855 2.364 20 5 EEBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@H]1[NH3+] ZINC000843376764 1315903950 /nfs/dbraw/zinc/90/39/50/1315903950.db2.gz DJWNIKAXVUGQHP-BXUZGUMPSA-N 2 0 338.383 2.122 20 5 EEBDRP CC[NH+]1C[C@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254483733 1318084139 /nfs/dbraw/zinc/08/41/39/1318084139.db2.gz XGRZDTJLEOSMLM-HOTGVXAUSA-N 2 0 344.459 2.447 20 5 EEBDRP COC[C@H](C)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308915646 1331608611 /nfs/dbraw/zinc/60/86/11/1331608611.db2.gz YVOIIJONHGGASV-HNNXBMFYSA-N 2 0 335.448 2.474 20 5 EEBDRP CCOc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001578166100 1344243320 /nfs/dbraw/zinc/24/33/20/1344243320.db2.gz JWTMLNRHWADHDS-OAHLLOKOSA-N 2 0 349.431 2.323 20 5 EEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001173229019 797311739 /nfs/dbraw/zinc/31/17/39/797311739.db2.gz UFRFUVOVNARYDG-AYOQOUSVSA-N 2 0 346.475 2.236 20 5 EEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC001169034918 803579312 /nfs/dbraw/zinc/57/93/12/803579312.db2.gz IPGCPYHSHPFUOL-MKXGPGLRSA-N 2 0 329.444 2.496 20 5 EEBDRP Cc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000128041684 292335076 /nfs/dbraw/zinc/33/50/76/292335076.db2.gz APUSDRMRUOBGQT-HOCLYGCPSA-N 2 0 348.447 2.141 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352504777 162162988 /nfs/dbraw/zinc/16/29/88/162162988.db2.gz USLLNOQRBSZXSG-AWEZNQCLSA-N 2 0 334.420 2.435 20 5 EEBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375905628 167223662 /nfs/dbraw/zinc/22/36/62/167223662.db2.gz MZKZKAHOFOAPDF-GOSISDBHSA-N 2 0 332.448 2.195 20 5 EEBDRP C[N@@H+]1CCC[C@@]2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940631 293083483 /nfs/dbraw/zinc/08/34/83/293083483.db2.gz JUJJRLSQJMIYJW-GOSISDBHSA-N 2 0 347.415 2.379 20 5 EEBDRP Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000443056938 315226075 /nfs/dbraw/zinc/22/60/75/315226075.db2.gz DULRFSJRENJZSP-KBPBESRZSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CC[NH3+])CC1 ZINC000565095990 319148405 /nfs/dbraw/zinc/14/84/05/319148405.db2.gz FBWCZRSANYXIJC-UHFFFAOYSA-N 2 0 334.420 2.293 20 5 EEBDRP C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CN1CC[NH+](C)CC1 ZINC000576172416 320147794 /nfs/dbraw/zinc/14/77/94/320147794.db2.gz LTYZJWRSQNWXLM-PBHICJAKSA-N 2 0 332.448 2.055 20 5 EEBDRP CC(C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)N1CC[NH+](C)CC1 ZINC000236701606 464219880 /nfs/dbraw/zinc/21/98/80/464219880.db2.gz DZPIYQIEVDPKRU-CQSZACIVSA-N 2 0 326.466 2.018 20 5 EEBDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000411464975 466830069 /nfs/dbraw/zinc/83/00/69/466830069.db2.gz ZNIICDJSOCJACC-AWEZNQCLSA-N 2 0 348.447 2.234 20 5 EEBDRP Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420236464 467327376 /nfs/dbraw/zinc/32/73/76/467327376.db2.gz FBCLDYHOZXHCQF-OKILXGFUSA-N 2 0 325.372 2.016 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420364545 467379908 /nfs/dbraw/zinc/37/99/08/467379908.db2.gz PEOIBUIBQYYHOD-OAHLLOKOSA-N 2 0 334.420 2.210 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736232 469116497 /nfs/dbraw/zinc/11/64/97/469116497.db2.gz KGUNEFRPRQZLGV-DHSIGJKJSA-N 2 0 349.431 2.322 20 5 EEBDRP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]CC[N+](=O)[O-])cc2)C[C@H]1C ZINC000905204230 694568133 /nfs/dbraw/zinc/56/81/33/694568133.db2.gz ZAFOWJPUTNTMPB-IYBDPMFKSA-N 2 0 335.448 2.062 20 5 EEBDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877074077 1199858625 /nfs/dbraw/zinc/85/86/25/1199858625.db2.gz ZAUIKVMQFVTYTQ-HOTGVXAUSA-N 2 0 347.463 2.421 20 5 EEBDRP COc1ccc(C[C@H](C)[NH+]2CCC(F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246626008 1310361012 /nfs/dbraw/zinc/36/10/12/1310361012.db2.gz JBIVGJKNQXUSEZ-LBPRGKRZSA-N 2 0 325.384 2.297 20 5 EEBDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475971 1315712710 /nfs/dbraw/zinc/71/27/10/1315712710.db2.gz ZSMIUQUIALGOAF-AWEZNQCLSA-N 2 0 338.383 2.040 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354973 1315897931 /nfs/dbraw/zinc/89/79/31/1315897931.db2.gz HJFKNHJRTCUMIL-UHFFFAOYSA-N 2 0 334.420 2.434 20 5 EEBDRP O=C(CCCC[NH+]1CCCC1)NCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001153309356 1316808306 /nfs/dbraw/zinc/80/83/06/1316808306.db2.gz NWNRNZUHUQKQPG-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198528 1371778421 /nfs/dbraw/zinc/77/84/21/1371778421.db2.gz OMBNHVGLHVLMQK-CQSZACIVSA-N 2 0 346.431 2.387 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118197872 1371778874 /nfs/dbraw/zinc/77/88/74/1371778874.db2.gz FSWNVGYDGWWBJA-UHFFFAOYSA-N 2 0 346.431 2.307 20 5 EEBDRP COc1c(O)ccc(CN2CCCC23CC[NH+](C)CC3)c1[N+](=O)[O-] ZINC000893856412 780244893 /nfs/dbraw/zinc/24/48/93/780244893.db2.gz IZRQDSKKJXTHEZ-UHFFFAOYSA-N 2 0 335.404 2.369 20 5 EEBDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154907197 224324986 /nfs/dbraw/zinc/32/49/86/224324986.db2.gz OXCHGWZGYXBXBZ-QAPCUYQASA-N 2 0 346.475 2.141 20 5 EEBDRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000422747397 285662761 /nfs/dbraw/zinc/66/27/61/285662761.db2.gz YKQJOJLVIFUINQ-CQSZACIVSA-N 2 0 349.431 2.048 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1F ZINC000352617757 162213844 /nfs/dbraw/zinc/21/38/44/162213844.db2.gz IOTCTNOUXXWJNP-COXVUDFISA-N 2 0 337.395 2.417 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278603352 274381738 /nfs/dbraw/zinc/38/17/38/274381738.db2.gz ATVBJVPYQZDHHK-INIZCTEOSA-N 2 0 333.432 2.364 20 5 EEBDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420386658 313948299 /nfs/dbraw/zinc/94/82/99/313948299.db2.gz JDWFRXRPCRKZTO-YJBOKZPZSA-N 2 0 349.431 2.192 20 5 EEBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]12 ZINC000351498814 465187493 /nfs/dbraw/zinc/18/74/93/465187493.db2.gz VWAJWBVEBNRBLO-NUEKZKHPSA-N 2 0 342.399 2.461 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000371295405 465696593 /nfs/dbraw/zinc/69/65/93/465696593.db2.gz RDHINXIRHSGJCS-KURKYZTESA-N 2 0 333.432 2.321 20 5 EEBDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299583262 465812310 /nfs/dbraw/zinc/81/23/10/465812310.db2.gz CZIUCEOHMXOPQS-QGZVFWFLSA-N 2 0 348.447 2.083 20 5 EEBDRP C[C@H]1CC2(C[N@@H+]1Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC[NH2+]CC2 ZINC000591668426 468500241 /nfs/dbraw/zinc/50/02/41/468500241.db2.gz XVPWMQBAADVSCR-ZDUSSCGKSA-N 2 0 347.415 2.330 20 5 EEBDRP CCc1cc(NCC2([NH3+])CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420228219 467325338 /nfs/dbraw/zinc/32/53/38/467325338.db2.gz KSYAZMXICFTBBE-UHFFFAOYSA-N 2 0 327.388 2.329 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343725 467370401 /nfs/dbraw/zinc/37/04/01/467370401.db2.gz RCHZBNUWXZKYCX-CABCVRRESA-N 2 0 346.431 2.163 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435612855 467480590 /nfs/dbraw/zinc/48/05/90/467480590.db2.gz ZOXFRUZMNYAOPA-CQSZACIVSA-N 2 0 334.420 2.306 20 5 EEBDRP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000415126294 467495813 /nfs/dbraw/zinc/49/58/13/467495813.db2.gz LXYAQPYPQCOVSY-UKRRQHHQSA-N 2 0 343.431 2.412 20 5 EEBDRP COc1ccc(C[C@@H](C)[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001246931852 1310469812 /nfs/dbraw/zinc/46/98/12/1310469812.db2.gz NVGKMMDQEHZOFQ-BMFZPTHFSA-N 2 0 333.432 2.466 20 5 EEBDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843353058 1315897730 /nfs/dbraw/zinc/89/77/30/1315897730.db2.gz AMOVQDRLJPNBTM-VXGBXAGGSA-N 2 0 338.383 2.122 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603654 1318141161 /nfs/dbraw/zinc/14/11/61/1318141161.db2.gz PRJQIGHYJDVUPG-LJQANCHMSA-N 2 0 348.491 2.267 20 5 EEBDRP [NH3+]CCCCN1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172905708 797131817 /nfs/dbraw/zinc/13/18/17/797131817.db2.gz JUIXFNMMOFLLGY-SFHVURJKSA-N 2 0 346.475 2.199 20 5 EEBDRP C[C@H](C[NH3+])C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009739 797195555 /nfs/dbraw/zinc/19/55/55/797195555.db2.gz PWHWGDWZNQAUAU-SNVBAGLBSA-N 2 0 328.363 2.026 20 5 EEBDRP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370633093 278373064 /nfs/dbraw/zinc/37/30/64/278373064.db2.gz FPWIOGXIASOHNM-GDBMZVCRSA-N 2 0 332.448 2.414 20 5 EEBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449130805 315420904 /nfs/dbraw/zinc/42/09/04/315420904.db2.gz HWXNUVGUOSDLDU-IRXDYDNUSA-N 2 0 348.491 2.389 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)c1 ZINC000358507881 465166346 /nfs/dbraw/zinc/16/63/46/465166346.db2.gz LMIVTULDTIEYPZ-UHFFFAOYSA-N 2 0 343.387 2.220 20 5 EEBDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299583259 465811865 /nfs/dbraw/zinc/81/18/65/465811865.db2.gz CZIUCEOHMXOPQS-KRWDZBQOSA-N 2 0 348.447 2.083 20 5 EEBDRP COc1cc(C[NH2+]C[C@H]2CCCn3cc(C)nc32)c([N+](=O)[O-])cc1O ZINC000377830996 467147960 /nfs/dbraw/zinc/14/79/60/467147960.db2.gz IWNIICJKZYVJBO-GFCCVEGCSA-N 2 0 346.387 2.481 20 5 EEBDRP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000420337019 467364889 /nfs/dbraw/zinc/36/48/89/467364889.db2.gz JGYYYRYBYKDMFI-CABCVRRESA-N 2 0 346.431 2.245 20 5 EEBDRP [NH3+]C[C@@H]1CCC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430648873 467455623 /nfs/dbraw/zinc/45/56/23/467455623.db2.gz RHOPHCHWENSWEQ-ZDUSSCGKSA-N 2 0 330.388 2.463 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593737669 469117608 /nfs/dbraw/zinc/11/76/08/469117608.db2.gz TVQHHFACNIQMLN-HDMKZQKVSA-N 2 0 349.431 2.192 20 5 EEBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602539486 485642762 /nfs/dbraw/zinc/64/27/62/485642762.db2.gz GTCXYRJGIOHPHY-MRXNPFEDSA-N 2 0 334.464 2.001 20 5 EEBDRP Cc1nn(C[N@H+](C)CC2CC[NH+](C)CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764968715 577492033 /nfs/dbraw/zinc/49/20/33/577492033.db2.gz BUAPMSYBWFKSGQ-UHFFFAOYSA-N 2 0 331.420 2.484 20 5 EEBDRP [NH3+]C[C@@]1(O)CCC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001246548059 1310337277 /nfs/dbraw/zinc/33/72/77/1310337277.db2.gz FIBWTAUHWQBMDL-FUHWJXTLSA-N 2 0 333.432 2.018 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])SCCSC(N)=[NH2+] ZINC001254540691 1318116164 /nfs/dbraw/zinc/11/61/64/1318116164.db2.gz UHVPZPURZVORKK-SECBINFHSA-N 2 0 341.462 2.410 20 5 EEBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001157101273 1318403735 /nfs/dbraw/zinc/40/37/35/1318403735.db2.gz CYGMRXBHZQEDIG-UHFFFAOYSA-N 2 0 328.376 2.332 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1NC[C@H]1CCC3(CC[NH2+]CC3)CO1)C[NH2+]C2 ZINC001162963424 1320998402 /nfs/dbraw/zinc/99/84/02/1320998402.db2.gz SCIBWKGBWHIVNX-OAHLLOKOSA-N 2 0 346.431 2.159 20 5 EEBDRP CC(C)(C)[NH+]1CCC(NC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001576080056 1343963368 /nfs/dbraw/zinc/96/33/68/1343963368.db2.gz BHOHPJXRVDNSRV-GOSISDBHSA-N 2 0 348.447 2.148 20 5 EEBDRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423013034 240329264 /nfs/dbraw/zinc/32/92/64/240329264.db2.gz LXJATMDOOBLYAE-CQSZACIVSA-N 2 0 349.431 2.048 20 5 EEBDRP CCOc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000271162346 256214275 /nfs/dbraw/zinc/21/42/75/256214275.db2.gz SHZFMLFSZGXQQJ-ZDUSSCGKSA-N 2 0 337.420 2.101 20 5 EEBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CCOc1cccc([N+](=O)[O-])c1 ZINC000374420311 167039289 /nfs/dbraw/zinc/03/92/89/167039289.db2.gz LHJOOGWBAUUSPC-ZTFGCOKTSA-N 2 0 349.431 2.157 20 5 EEBDRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000411477464 312541566 /nfs/dbraw/zinc/54/15/66/312541566.db2.gz RZOXKYLFSUMFDQ-CQSZACIVSA-N 2 0 348.447 2.154 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856212 313103710 /nfs/dbraw/zinc/10/37/10/313103710.db2.gz OBPGLXYQISRQBF-MCIONIFRSA-N 2 0 334.420 2.290 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000449072055 315412305 /nfs/dbraw/zinc/41/23/05/315412305.db2.gz DMINUIPYCNPDCH-OAHLLOKOSA-N 2 0 334.464 2.141 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000358501561 465161982 /nfs/dbraw/zinc/16/19/82/465161982.db2.gz ANRHDAAFTOTEQH-UHFFFAOYSA-N 2 0 346.431 2.307 20 5 EEBDRP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000347084457 466380377 /nfs/dbraw/zinc/38/03/77/466380377.db2.gz ALACJYPJDRFHLW-OAHLLOKOSA-N 2 0 348.447 2.005 20 5 EEBDRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423382273 466733495 /nfs/dbraw/zinc/73/34/95/466733495.db2.gz IJUYLDMCDYQUCH-SMDDNHRTSA-N 2 0 346.353 2.082 20 5 EEBDRP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000420342849 467369122 /nfs/dbraw/zinc/36/91/22/467369122.db2.gz QBQLEDXBXFKMMN-HUUCEWRRSA-N 2 0 346.431 2.245 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420356295 467376110 /nfs/dbraw/zinc/37/61/10/467376110.db2.gz GAAOZDJAQQAONU-HNNXBMFYSA-N 2 0 334.420 2.210 20 5 EEBDRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420389342 467390881 /nfs/dbraw/zinc/39/08/81/467390881.db2.gz YCSISCGDQOTQTL-ZWKOTPCHSA-N 2 0 349.431 2.192 20 5 EEBDRP C[NH2+]CC1CC[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435367960 467463282 /nfs/dbraw/zinc/46/32/82/467463282.db2.gz CJZAVIJGABAUKB-UHFFFAOYSA-N 2 0 343.431 2.427 20 5 EEBDRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591726554 468510936 /nfs/dbraw/zinc/51/09/36/468510936.db2.gz MRTYLJKKDVPPAB-KBPBESRZSA-N 2 0 332.404 2.140 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000593315582 468936622 /nfs/dbraw/zinc/93/66/22/468936622.db2.gz MPHJLUZONRZMKT-MGPQQGTHSA-N 2 0 325.434 2.375 20 5 EEBDRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602722848 469033354 /nfs/dbraw/zinc/03/33/54/469033354.db2.gz IFWCMYWPWZTLBV-HNNXBMFYSA-N 2 0 347.463 2.280 20 5 EEBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1[NH3+] ZINC000843376769 1315904014 /nfs/dbraw/zinc/90/40/14/1315904014.db2.gz DJWNIKAXVUGQHP-RISCZKNCSA-N 2 0 338.383 2.122 20 5 EEBDRP [NH3+]CCCC[NH2+]CCCNc1ccc(-c2ccccc2[N+](=O)[O-])nn1 ZINC001162294345 1320810688 /nfs/dbraw/zinc/81/06/88/1320810688.db2.gz GQMVMHQXQWMGAC-UHFFFAOYSA-N 2 0 344.419 2.182 20 5 EEBDRP CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC001577711250 1403670324 /nfs/dbraw/zinc/67/03/24/1403670324.db2.gz ZOOJCHHGMFIQGD-UHFFFAOYSA-N 2 0 334.420 2.306 20 5 EEBDRP CC(C)(C)[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001169023908 803590059 /nfs/dbraw/zinc/59/00/59/803590059.db2.gz VHYMKVPKKFXWRN-BZUAXINKSA-N 2 0 339.480 2.443 20 5 EEBDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000442780922 242111314 /nfs/dbraw/zinc/11/13/14/242111314.db2.gz OMHOXESJCFJBSA-QWHCGFSZSA-N 2 0 330.388 2.461 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415001317 533688755 /nfs/dbraw/zinc/68/87/55/533688755.db2.gz LAFFVESYZIUKKU-MCIONIFRSA-N 2 0 334.420 2.419 20 5 EEBDRP C[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)N1CC[NH+](C)CC1 ZINC000192832499 279352747 /nfs/dbraw/zinc/35/27/47/279352747.db2.gz LYBLEZMATROGFF-KDOFPFPSSA-N 2 0 332.448 2.198 20 5 EEBDRP Cc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000591285019 468439177 /nfs/dbraw/zinc/43/91/77/468439177.db2.gz XLUXMRKGDKMKQX-WBVHZDCISA-N 2 0 331.416 2.104 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420356296 467376363 /nfs/dbraw/zinc/37/63/63/467376363.db2.gz GAAOZDJAQQAONU-OAHLLOKOSA-N 2 0 334.420 2.210 20 5 EEBDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591752157 468514351 /nfs/dbraw/zinc/51/43/51/468514351.db2.gz YWKBJZPZTJWMSJ-HNNXBMFYSA-N 2 0 348.447 2.491 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733989 469116619 /nfs/dbraw/zinc/11/66/19/469116619.db2.gz QKRLSHXVJKWSFC-KSSFIOAISA-N 2 0 346.431 2.293 20 5 EEBDRP C[N@H+](C1CCOCC1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034907 803579415 /nfs/dbraw/zinc/57/94/15/803579415.db2.gz IMJYDRFKINIQLE-WMLDXEAASA-N 2 0 325.453 2.007 20 5 EEBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332474 281261427 /nfs/dbraw/zinc/26/14/27/281261427.db2.gz CZUDLHPXJSXLDR-HUUCEWRRSA-N 2 0 346.431 2.163 20 5 EEBDRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000447593699 289169893 /nfs/dbraw/zinc/16/98/93/289169893.db2.gz UMSDQPJAIRBBQY-DOTOQJQBSA-N 2 0 335.448 2.474 20 5 EEBDRP C[N@@H+]1CCC[C@]2(CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)C1 ZINC000292940635 293083644 /nfs/dbraw/zinc/08/36/44/293083644.db2.gz JUJJRLSQJMIYJW-SFHVURJKSA-N 2 0 347.415 2.379 20 5 EEBDRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414936898 313112668 /nfs/dbraw/zinc/11/26/68/313112668.db2.gz ZNILCBLSWDOAQM-HUUCEWRRSA-N 2 0 329.404 2.355 20 5 EEBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577413556 320254652 /nfs/dbraw/zinc/25/46/52/320254652.db2.gz YHTUFEXLDVZARE-QAPCUYQASA-N 2 0 346.475 2.445 20 5 EEBDRP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285032197 464432744 /nfs/dbraw/zinc/43/27/44/464432744.db2.gz HUOSWOOBVWLCNE-KGLIPLIRSA-N 2 0 336.436 2.329 20 5 EEBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000591281647 468437151 /nfs/dbraw/zinc/43/71/51/468437151.db2.gz HXFFPTWJYZFZPF-CYBMUJFWSA-N 2 0 327.331 2.428 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2cnc(CCN3CC[C@@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000357104457 465775378 /nfs/dbraw/zinc/77/53/78/465775378.db2.gz MEBLHSGXYPBBAC-CABCVRRESA-N 2 0 342.399 2.334 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423319222 466716689 /nfs/dbraw/zinc/71/66/89/466716689.db2.gz DFKXPZIPLJJCTP-MRXNPFEDSA-N 2 0 343.431 2.397 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423466812 466754011 /nfs/dbraw/zinc/75/40/11/466754011.db2.gz TYFHSAZIHJGPSA-MCIONIFRSA-N 2 0 334.420 2.419 20 5 EEBDRP Cn1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414836271 467436216 /nfs/dbraw/zinc/43/62/16/467436216.db2.gz USEAGWDYBOBEPT-CYBMUJFWSA-N 2 0 329.404 2.085 20 5 EEBDRP Cn1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414837112 467436243 /nfs/dbraw/zinc/43/62/43/467436243.db2.gz KAWVVWSCDKYFGQ-AWEZNQCLSA-N 2 0 343.431 2.475 20 5 EEBDRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415100453 467489531 /nfs/dbraw/zinc/48/95/31/467489531.db2.gz AIYKZQLBINJBHW-QAPCUYQASA-N 2 0 349.431 2.322 20 5 EEBDRP C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000415126296 467496230 /nfs/dbraw/zinc/49/62/30/467496230.db2.gz LXYAQPYPQCOVSY-ZFWWWQNUSA-N 2 0 343.431 2.412 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[NH+]3CCCC3)CC2)cn1 ZINC000602594184 469376502 /nfs/dbraw/zinc/37/65/02/469376502.db2.gz UANVBQFZOVUXEH-UHFFFAOYSA-N 2 0 333.436 2.034 20 5 EEBDRP O=[N+]([O-])c1ncccc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000604524836 469487291 /nfs/dbraw/zinc/48/72/91/469487291.db2.gz SGFAIXCRYTYHNN-UHFFFAOYSA-N 2 0 342.403 2.009 20 5 EEBDRP COc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]([NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001256083526 1318643690 /nfs/dbraw/zinc/64/36/90/1318643690.db2.gz RJZPZZGDZZIFBC-DZGCQCFKSA-N 2 0 348.447 2.432 20 5 EEBDRP CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@](C)(C[NH3+])C1 ZINC001158272137 1319132389 /nfs/dbraw/zinc/13/23/89/1319132389.db2.gz SXONKQNHVAOJEA-SJCJKPOMSA-N 2 0 348.451 2.027 20 5 EEBDRP C[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172895188 797147325 /nfs/dbraw/zinc/14/73/25/797147325.db2.gz AMTKQFRMOJEBAQ-SFHVURJKSA-N 2 0 346.475 2.069 20 5 EEBDRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033664 803578931 /nfs/dbraw/zinc/57/89/31/803578931.db2.gz DEXHSGPMTPHMHQ-DJIMGWMZSA-N 2 0 325.453 2.007 20 5 EEBDRP C[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423382240 296127386 /nfs/dbraw/zinc/12/73/86/296127386.db2.gz IJUYLDMCDYQUCH-BXUZGUMPSA-N 2 0 346.353 2.082 20 5 EEBDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000274871042 269067414 /nfs/dbraw/zinc/06/74/14/269067414.db2.gz XBAJPDIVSSPIGD-WBVHZDCISA-N 2 0 343.431 2.292 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1csc([N+](=O)[O-])c1 ZINC000289373605 275112077 /nfs/dbraw/zinc/11/20/77/275112077.db2.gz BBLLPQAULDVSBY-UHFFFAOYSA-N 2 0 328.482 2.362 20 5 EEBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577413554 320254806 /nfs/dbraw/zinc/25/48/06/320254806.db2.gz YHTUFEXLDVZARE-CRAIPNDOSA-N 2 0 346.475 2.445 20 5 EEBDRP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371261653 465675173 /nfs/dbraw/zinc/67/51/73/465675173.db2.gz ZOSWMVFABRONTN-IBGZPJMESA-N 2 0 346.475 2.238 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000449224656 467624412 /nfs/dbraw/zinc/62/44/12/467624412.db2.gz RFIYGJOAZXGGBD-OAHLLOKOSA-N 2 0 334.464 2.141 20 5 EEBDRP COCC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000841067852 1315466900 /nfs/dbraw/zinc/46/69/00/1315466900.db2.gz GOGNLILPIJAOSM-UHFFFAOYSA-N 2 0 327.812 2.354 20 5 EEBDRP C[NH+](C)Cc1ccccc1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001336704059 1336583239 /nfs/dbraw/zinc/58/32/39/1336583239.db2.gz NMLNTAHBXOARIW-GOSISDBHSA-N 2 0 329.400 2.480 20 5 EEBDRP COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000923489982 789658640 /nfs/dbraw/zinc/65/86/40/789658640.db2.gz ZXBNPQRIUNVLIJ-JTQLQIEISA-N 2 0 345.346 2.376 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH3+])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172913445 797171974 /nfs/dbraw/zinc/17/19/74/797171974.db2.gz VWUODQZPCURRAG-SFHVURJKSA-N 2 0 348.491 2.445 20 5 EEBDRP C[N@H+](C1CCOCC1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169034908 803579397 /nfs/dbraw/zinc/57/93/97/803579397.db2.gz IMJYDRFKINIQLE-YOEHRIQHSA-N 2 0 325.453 2.007 20 5 EEBDRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000337322534 160629374 /nfs/dbraw/zinc/62/93/74/160629374.db2.gz DJBIOVQCMOCQRO-UHFFFAOYSA-N 2 0 334.420 2.197 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423538115 274472173 /nfs/dbraw/zinc/47/21/73/274472173.db2.gz FIVKNGPWNZIFQE-ORIJERBGSA-N 2 0 346.431 2.290 20 5 EEBDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420389340 313949063 /nfs/dbraw/zinc/94/90/63/313949063.db2.gz YCSISCGDQOTQTL-QZTJIDSGSA-N 2 0 349.431 2.192 20 5 EEBDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000420389315 313949382 /nfs/dbraw/zinc/94/93/82/313949382.db2.gz YAFPGGRGHSEETI-QAPCUYQASA-N 2 0 349.431 2.192 20 5 EEBDRP C[NH2+]CC1CC[NH+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000430933968 314594142 /nfs/dbraw/zinc/59/41/42/314594142.db2.gz KJPVYHMTULILJA-UHFFFAOYSA-N 2 0 334.420 2.163 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420382084 467387226 /nfs/dbraw/zinc/38/72/26/467387226.db2.gz DKCXUGVSCQNGRX-SJLPKXTDSA-N 2 0 333.432 2.356 20 5 EEBDRP Cn1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414920490 467449008 /nfs/dbraw/zinc/44/90/08/467449008.db2.gz ZMZDHPGLPVCALF-SFHVURJKSA-N 2 0 343.431 2.475 20 5 EEBDRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000430622796 467451148 /nfs/dbraw/zinc/45/11/48/467451148.db2.gz LSMGQOAIMQQABK-AWEZNQCLSA-N 2 0 334.420 2.163 20 5 EEBDRP COc1ccc(OCCN2CCC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000595506192 468880397 /nfs/dbraw/zinc/88/03/97/468880397.db2.gz BDSMGMVZDQENAW-SFHVURJKSA-N 2 0 349.431 2.400 20 5 EEBDRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783594683 1304305943 /nfs/dbraw/zinc/30/59/43/1304305943.db2.gz GOXKPADZSVAPDB-UHFFFAOYSA-N 2 0 340.855 2.364 20 5 EEBDRP C[C@H]1CC[NH2+]C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246116095 1310239885 /nfs/dbraw/zinc/23/98/85/1310239885.db2.gz UUOYXGVFZVPWPN-LSDHHAIUSA-N 2 0 332.448 2.399 20 5 EEBDRP CC(C)[NH+]1CCN(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254540199 1318115790 /nfs/dbraw/zinc/11/57/90/1318115790.db2.gz QCPDEMNZZHDEEN-INIZCTEOSA-N 2 0 334.464 2.141 20 5 EEBDRP COc1cc(N2CCC([NH2+]CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001256081652 1318641017 /nfs/dbraw/zinc/64/10/17/1318641017.db2.gz BRIRCZZNECSXFB-UHFFFAOYSA-N 2 0 336.436 2.114 20 5 EEBDRP CC[C@@H](CO)[NH2+]CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001308697013 1331601834 /nfs/dbraw/zinc/60/18/34/1331601834.db2.gz UAEQFUBFZYNUBE-KRWDZBQOSA-N 2 0 335.448 2.210 20 5 EEBDRP [NH3+]CCC1CC[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000846227313 790095084 /nfs/dbraw/zinc/09/50/84/790095084.db2.gz NPVFBUXKWGIMNG-UHFFFAOYSA-N 2 0 338.383 2.123 20 5 EEBDRP CC(C)(C(=O)NCC[NH2+]Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC001127321705 795398736 /nfs/dbraw/zinc/39/87/36/795398736.db2.gz DHTKVDYFWGMXRM-UHFFFAOYSA-N 2 0 348.447 2.065 20 5 EEBDRP C[NH+](C)CCN(CC[NH+](C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914805 797148170 /nfs/dbraw/zinc/14/81/70/797148170.db2.gz JDGKXQWVWAQTBM-GOSISDBHSA-N 2 0 348.491 2.267 20 5 EEBDRP CC[NH+](CC)CCN(CC[NH3+])[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910785 797169941 /nfs/dbraw/zinc/16/99/41/797169941.db2.gz DENYTMGRJJWPDH-SFHVURJKSA-N 2 0 348.491 2.445 20 5 EEBDRP COc1ccc(CC2([NH3+])CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997053 803562840 /nfs/dbraw/zinc/56/28/40/803562840.db2.gz BGVFFIJTDVRCGG-IRXDYDNUSA-N 2 0 347.459 2.476 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423552497 279247531 /nfs/dbraw/zinc/24/75/31/279247531.db2.gz VCBOVQGMANQOHJ-HGTKMLMNSA-N 2 0 346.431 2.290 20 5 EEBDRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000420389314 313949051 /nfs/dbraw/zinc/94/90/51/313949051.db2.gz YAFPGGRGHSEETI-MAUKXSAKSA-N 2 0 349.431 2.192 20 5 EEBDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000420389313 313949054 /nfs/dbraw/zinc/94/90/54/313949054.db2.gz YAFPGGRGHSEETI-CRAIPNDOSA-N 2 0 349.431 2.192 20 5 EEBDRP Cn1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414839360 467437684 /nfs/dbraw/zinc/43/76/84/467437684.db2.gz WELPGTAVFDMEMC-CYBMUJFWSA-N 2 0 329.404 2.085 20 5 EEBDRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCc4c3cccc4[N+](=O)[O-])C2)CC1 ZINC000594495874 468609482 /nfs/dbraw/zinc/60/94/82/468609482.db2.gz UDQHJQXIRITOEV-KBXCAEBGSA-N 2 0 344.459 2.340 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000592437218 468697765 /nfs/dbraw/zinc/69/77/65/468697765.db2.gz CYFOTDULMSGWSB-ZIAGYGMSSA-N 2 0 347.415 2.188 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471168 468705263 /nfs/dbraw/zinc/70/52/63/468705263.db2.gz FFCBSAPMHRYAMQ-UHFFFAOYSA-N 2 0 346.431 2.448 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000602569314 469365811 /nfs/dbraw/zinc/36/58/11/469365811.db2.gz PSCLFLBDDOJGMN-MOPGFXCFSA-N 2 0 347.459 2.495 20 5 EEBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H]([NH+]3CCOCC3)CC1)C2 ZINC001254587988 1318135311 /nfs/dbraw/zinc/13/53/11/1318135311.db2.gz UIESHSVVXWHWMS-BZSNNMDCSA-N 2 0 345.443 2.295 20 5 EEBDRP O=[N+]([O-])c1cccc(Br)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC001580876065 1344567723 /nfs/dbraw/zinc/56/77/23/1344567723.db2.gz YZSOOPFDDWHUBE-SNVBAGLBSA-N 2 0 328.210 2.447 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000923359788 789451324 /nfs/dbraw/zinc/45/13/24/789451324.db2.gz VGBXOHDAVSHTIC-SOLBZPMBSA-N 2 0 333.432 2.340 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000344851192 161250731 /nfs/dbraw/zinc/25/07/31/161250731.db2.gz LEWRHHOPQDYELT-RBFDBLARSA-N 2 0 332.448 2.224 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414783847 313088168 /nfs/dbraw/zinc/08/81/68/313088168.db2.gz RGUFKAPYVNPIEV-FUHWJXTLSA-N 2 0 346.475 2.191 20 5 EEBDRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577745743 320273558 /nfs/dbraw/zinc/27/35/58/320273558.db2.gz SYHSHGVJQUCSGZ-QGZVFWFLSA-N 2 0 332.448 2.199 20 5 EEBDRP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000578231795 320302688 /nfs/dbraw/zinc/30/26/88/320302688.db2.gz KRYDHYIKQCCHHB-CQSZACIVSA-N 2 0 334.420 2.245 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591579385 468486563 /nfs/dbraw/zinc/48/65/63/468486563.db2.gz VFUFVBFYVGNRRA-IUODEOHRSA-N 2 0 332.404 2.044 20 5 EEBDRP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420327917 467358806 /nfs/dbraw/zinc/35/88/06/467358806.db2.gz ZLLCGIYCIUBVLY-MZBDJJRSSA-N 2 0 332.404 2.138 20 5 EEBDRP C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333755 467362527 /nfs/dbraw/zinc/36/25/27/467362527.db2.gz FRJNFNFVCOHURL-ILXRZTDVSA-N 2 0 346.431 2.243 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420414692 467400478 /nfs/dbraw/zinc/40/04/78/467400478.db2.gz USFYOCHDYWIHGR-TZMCWYRMSA-N 2 0 334.420 2.149 20 5 EEBDRP CC(C)[N@H+](C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511907 469344803 /nfs/dbraw/zinc/34/48/03/469344803.db2.gz VMGGVPDGJFGUER-UHFFFAOYSA-N 2 0 335.452 2.279 20 5 EEBDRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)CC1 ZINC000183330709 529151572 /nfs/dbraw/zinc/15/15/72/529151572.db2.gz YOAKQRWELATFQE-GOSISDBHSA-N 2 0 332.448 2.115 20 5 EEBDRP C[N@@H+]1CCCN(CCC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000729684783 576672602 /nfs/dbraw/zinc/67/26/02/576672602.db2.gz WTSQWQOJJAHTQA-YWEYNIOJSA-N 2 0 332.448 2.225 20 5 EEBDRP C[NH+](C)Cc1c(OC(=O)C[C@@H](O)C[N+](C)(C)C)ccc2ccccc21 ZINC001228440170 1302262748 /nfs/dbraw/zinc/26/27/48/1302262748.db2.gz ACNNRIXMLDUQEJ-MRXNPFEDSA-N 2 0 345.463 2.264 20 5 EEBDRP CC[NH+]1C[C@@H]2C[NH+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@H]2C1 ZINC001254483735 1318085050 /nfs/dbraw/zinc/08/50/50/1318085050.db2.gz XGRZDTJLEOSMLM-HZPDHXFCSA-N 2 0 344.459 2.447 20 5 EEBDRP [NH3+]C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000923401456 789502509 /nfs/dbraw/zinc/50/25/09/789502509.db2.gz NGLKDDCPNVBXPR-MRVWCRGKSA-N 2 0 347.337 2.087 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909658 797168317 /nfs/dbraw/zinc/16/83/17/797168317.db2.gz UUQIHPBWYULTTE-MRXNPFEDSA-N 2 0 347.463 2.298 20 5 EEBDRP COC1CC[NH+](C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169046755 803592890 /nfs/dbraw/zinc/59/28/90/803592890.db2.gz MOPVAMNVRCWTPL-GDBMZVCRSA-N 2 0 325.453 2.007 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000344793738 161246282 /nfs/dbraw/zinc/24/62/82/161246282.db2.gz PCBHBQGSIOOWAG-DTQAZKPQSA-N 2 0 332.448 2.225 20 5 EEBDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000415136720 313120383 /nfs/dbraw/zinc/12/03/83/313120383.db2.gz DDOSNKHLVDGCEB-UHFFFAOYSA-N 2 0 331.372 2.140 20 5 EEBDRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000565547805 319193050 /nfs/dbraw/zinc/19/30/50/319193050.db2.gz CPUIBDOZFXVLID-SFHVURJKSA-N 2 0 346.475 2.445 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000344851194 465794214 /nfs/dbraw/zinc/79/42/14/465794214.db2.gz LEWRHHOPQDYELT-UVQBRAAOSA-N 2 0 332.448 2.224 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218377 466698805 /nfs/dbraw/zinc/69/88/05/466698805.db2.gz RXHNJNZNUSFSMK-MCIONIFRSA-N 2 0 334.420 2.290 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302606 467024637 /nfs/dbraw/zinc/02/46/37/467024637.db2.gz ZZQPQBDAMRAORI-AWEZNQCLSA-N 2 0 346.431 2.306 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000531959506 468086984 /nfs/dbraw/zinc/08/69/84/468086984.db2.gz LCUQYVNHHFWHPM-HUUCEWRRSA-N 2 0 348.447 2.141 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000593315580 468936631 /nfs/dbraw/zinc/93/66/31/468936631.db2.gz MPHJLUZONRZMKT-BFHYXJOUSA-N 2 0 325.434 2.375 20 5 EEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000185864473 533919050 /nfs/dbraw/zinc/91/90/50/533919050.db2.gz CIQFLKGRCSGLGC-BIENSFFJSA-N 2 0 332.448 2.224 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260163 1198543948 /nfs/dbraw/zinc/54/39/48/1198543948.db2.gz UIPWPKLQOCIFLV-LUYZLQTOSA-N 2 0 346.431 2.432 20 5 EEBDRP C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCC([NH3+])CC1 ZINC000843355327 1315898592 /nfs/dbraw/zinc/89/85/92/1315898592.db2.gz RRCLVVQNYMLFMG-UHFFFAOYSA-N 2 0 338.383 2.264 20 5 EEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001173229020 797311276 /nfs/dbraw/zinc/31/12/76/797311276.db2.gz UFRFUVOVNARYDG-ZYSHUDEJSA-N 2 0 346.475 2.236 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168983654 803546675 /nfs/dbraw/zinc/54/66/75/803546675.db2.gz KIGSWTLWLKIBTH-ROUUACIJSA-N 2 0 347.459 2.049 20 5 EEBDRP CC(C)(C)[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001169023907 803590013 /nfs/dbraw/zinc/59/00/13/803590013.db2.gz VHYMKVPKKFXWRN-ARFHVFGLSA-N 2 0 339.480 2.443 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342098319 161039299 /nfs/dbraw/zinc/03/92/99/161039299.db2.gz IFJVEFUKVLMYNH-NUEKZKHPSA-N 2 0 346.431 2.291 20 5 EEBDRP C[NH+](CCNc1nc(NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-])C1CC1 ZINC000277659627 269168452 /nfs/dbraw/zinc/16/84/52/269168452.db2.gz ZAVFISQTOVYFDW-UHFFFAOYSA-N 2 0 348.451 2.002 20 5 EEBDRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000272506671 274173674 /nfs/dbraw/zinc/17/36/74/274173674.db2.gz HDWOHUOGBQHHFG-UHFFFAOYSA-N 2 0 337.420 2.434 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414960927 313115918 /nfs/dbraw/zinc/11/59/18/313115918.db2.gz AUXBFWSXHPZGHA-UONOGXRCSA-N 2 0 334.420 2.434 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054810 315225939 /nfs/dbraw/zinc/22/59/39/315225939.db2.gz AFWAJFKEWKPDEM-CQSZACIVSA-N 2 0 334.420 2.293 20 5 EEBDRP Cc1c([C@@H](C)[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000120924964 463054878 /nfs/dbraw/zinc/05/48/78/463054878.db2.gz IISRQRZFRZYURS-GDBMZVCRSA-N 2 0 334.464 2.437 20 5 EEBDRP CN(CCCn1ccnc1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000124436032 463422471 /nfs/dbraw/zinc/42/24/71/463422471.db2.gz RTOWYJCIYFEPOZ-UHFFFAOYSA-N 2 0 342.359 2.363 20 5 EEBDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435372453 467463093 /nfs/dbraw/zinc/46/30/93/467463093.db2.gz RHEZVJROOACXFN-QWHCGFSZSA-N 2 0 329.404 2.164 20 5 EEBDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435375926 467464136 /nfs/dbraw/zinc/46/41/36/467464136.db2.gz OXVRYZNRGSJPMH-OCCSQVGLSA-N 2 0 329.404 2.164 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000449130697 467619954 /nfs/dbraw/zinc/61/99/54/467619954.db2.gz HIEPSCGFYGQTEC-INIZCTEOSA-N 2 0 348.491 2.389 20 5 EEBDRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593316069 468936784 /nfs/dbraw/zinc/93/67/84/468936784.db2.gz QDRKHXIFKZCBJJ-RLFYNMQTSA-N 2 0 349.431 2.322 20 5 EEBDRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893327738 684683385 /nfs/dbraw/zinc/68/33/85/684683385.db2.gz ODWRKKUDKZEQIX-UHFFFAOYSA-N 2 0 340.855 2.365 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799194 1206154962 /nfs/dbraw/zinc/15/49/62/1206154962.db2.gz NNIPALCIRXCAOY-MGPQQGTHSA-N 2 0 334.420 2.147 20 5 EEBDRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001230374369 1303182900 /nfs/dbraw/zinc/18/29/00/1303182900.db2.gz UBVKUNHMQJTBTC-UHFFFAOYSA-N 2 0 348.447 2.016 20 5 EEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1F ZINC001246196986 1310257516 /nfs/dbraw/zinc/25/75/16/1310257516.db2.gz JEVNTCXHLZDBIB-NEPJUHHUSA-N 2 0 325.384 2.263 20 5 EEBDRP COCCC[NH+]1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254573467 1318125939 /nfs/dbraw/zinc/12/59/39/1318125939.db2.gz ABSXGJYGKDWGLM-KRWDZBQOSA-N 2 0 333.432 2.153 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001163126655 1321043880 /nfs/dbraw/zinc/04/38/80/1321043880.db2.gz ULSVSTCLNLPGKZ-UHFFFAOYSA-N 2 0 330.392 2.421 20 5 EEBDRP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC001577684922 1403668971 /nfs/dbraw/zinc/66/89/71/1403668971.db2.gz PKIDYQYISJWIFY-CXAGYDPISA-N 2 0 336.436 2.005 20 5 EEBDRP COc1cc(C[NH2+]Cc2ccc(CC[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000841032226 783467131 /nfs/dbraw/zinc/46/71/31/783467131.db2.gz PLNOHKGIRUGNPT-UHFFFAOYSA-N 2 0 345.399 2.403 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC001168997338 803563586 /nfs/dbraw/zinc/56/35/86/803563586.db2.gz YTAAAUYILXFZKY-WMZOPIPTSA-N 2 0 332.448 2.329 20 5 EEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC001169044669 803585024 /nfs/dbraw/zinc/58/50/24/803585024.db2.gz IPGCPYHSHPFUOL-INDMIFKZSA-N 2 0 329.444 2.496 20 5 EEBDRP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000370633094 290017754 /nfs/dbraw/zinc/01/77/54/290017754.db2.gz FPWIOGXIASOHNM-GOEBONIOSA-N 2 0 332.448 2.414 20 5 EEBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293748283 293285697 /nfs/dbraw/zinc/28/56/97/293285697.db2.gz NZGFRRQBDCYQFS-CABCVRRESA-N 2 0 349.479 2.101 20 5 EEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414792818 313090535 /nfs/dbraw/zinc/09/05/35/313090535.db2.gz SPRYFJVJURRBSU-AEFFLSMTSA-N 2 0 349.431 2.322 20 5 EEBDRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000577743547 320273384 /nfs/dbraw/zinc/27/33/84/320273384.db2.gz SRIIXBFJHLQYHM-CYBMUJFWSA-N 2 0 332.404 2.163 20 5 EEBDRP Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083862 463317554 /nfs/dbraw/zinc/31/75/54/463317554.db2.gz JUUDBSKBWAIWIP-CQSZACIVSA-N 2 0 343.431 2.499 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420333798 467362222 /nfs/dbraw/zinc/36/22/22/467362222.db2.gz FTKVSFNBJJVADT-LSDHHAIUSA-N 2 0 346.431 2.163 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430551042 467438549 /nfs/dbraw/zinc/43/85/49/467438549.db2.gz PNNYZNDYDRUQJL-KGLIPLIRSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430553991 467438555 /nfs/dbraw/zinc/43/85/55/467438555.db2.gz LYZOGDYPWHWDQN-KBPBESRZSA-N 2 0 334.420 2.291 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000449122423 467619729 /nfs/dbraw/zinc/61/97/29/467619729.db2.gz LIJNJNHYPMYUQJ-NVXWUHKLSA-N 2 0 335.448 2.208 20 5 EEBDRP COc1ccc(-c2ccc(C[N@H+](C)CCOCC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000600775953 468654335 /nfs/dbraw/zinc/65/43/35/468654335.db2.gz UNPZROFDIKHBCO-UHFFFAOYSA-N 2 0 349.387 2.271 20 5 EEBDRP CC[NH+]1CCC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602554757 469359474 /nfs/dbraw/zinc/35/94/74/469359474.db2.gz XDGZLZUGLDFIAP-UHFFFAOYSA-N 2 0 347.463 2.280 20 5 EEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000873122997 1198505776 /nfs/dbraw/zinc/50/57/76/1198505776.db2.gz YMLRHCIYWRIUQX-UHFFFAOYSA-N 2 0 334.464 2.327 20 5 EEBDRP Cc1c(C)c(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC001157837695 1318897673 /nfs/dbraw/zinc/89/76/73/1318897673.db2.gz FTHOFHOTGCNSEY-UHFFFAOYSA-N 2 0 347.463 2.070 20 5 EEBDRP C[C@@H]([NH3+])c1ccc2c(ccn2-c2ncnc(C3C[NH2+]C3)c2[N+](=O)[O-])c1 ZINC001162910178 1320986396 /nfs/dbraw/zinc/98/63/96/1320986396.db2.gz QSGPURMLIRFJCC-SNVBAGLBSA-N 2 0 338.371 2.035 20 5 EEBDRP C[C@@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC[C@H]1C[NH3+] ZINC001576811223 1344064699 /nfs/dbraw/zinc/06/46/99/1344064699.db2.gz CRZJFWYKJBVTLA-YPMHNXCESA-N 2 0 331.376 2.062 20 5 EEBDRP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C12CCOCC2 ZINC001580162778 1403840584 /nfs/dbraw/zinc/84/05/84/1403840584.db2.gz FPICKKIEKGRUCA-HUUCEWRRSA-N 2 0 339.823 2.277 20 5 EEBDRP [NH3+]C[C@@H]1CN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000923401455 789502362 /nfs/dbraw/zinc/50/23/62/789502362.db2.gz NGLKDDCPNVBXPR-KWCYVHTRSA-N 2 0 347.337 2.087 20 5 EEBDRP COc1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])c1 ZINC000442766901 242109102 /nfs/dbraw/zinc/10/91/02/242109102.db2.gz XKTRRRNKAONXHP-PBWFPOADSA-N 2 0 335.404 2.197 20 5 EEBDRP CC(C)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CC[NH+](C)CC1 ZINC000563417304 319008964 /nfs/dbraw/zinc/00/89/64/319008964.db2.gz LMMSKYNRNNTDIS-HKUYNNGSSA-N 2 0 346.475 2.444 20 5 EEBDRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000277054799 463857734 /nfs/dbraw/zinc/85/77/34/463857734.db2.gz CSDZYBOVXVQAAH-AWEZNQCLSA-N 2 0 334.420 2.340 20 5 EEBDRP C[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CN1CC[NH+](C)CC1 ZINC000192822932 465005657 /nfs/dbraw/zinc/00/56/57/465005657.db2.gz DFJHAMCPXBVOSF-KXBFYZLASA-N 2 0 346.475 2.445 20 5 EEBDRP C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371261654 465674741 /nfs/dbraw/zinc/67/47/41/465674741.db2.gz ZOSWMVFABRONTN-LJQANCHMSA-N 2 0 346.475 2.238 20 5 EEBDRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423382272 466733629 /nfs/dbraw/zinc/73/36/29/466733629.db2.gz IJUYLDMCDYQUCH-RISCZKNCSA-N 2 0 346.353 2.082 20 5 EEBDRP CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420312735 467349936 /nfs/dbraw/zinc/34/99/36/467349936.db2.gz IJFMLKIIBPBBGB-UHFFFAOYSA-N 2 0 334.420 2.387 20 5 EEBDRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594490848 468607967 /nfs/dbraw/zinc/60/79/67/468607967.db2.gz SHEWWGJHVHBWRC-MRXNPFEDSA-N 2 0 332.448 2.198 20 5 EEBDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000562960420 469114790 /nfs/dbraw/zinc/11/47/90/469114790.db2.gz UREARYUDJAKRHU-LBPRGKRZSA-N 2 0 330.388 2.487 20 5 EEBDRP c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCNC4(CC[NH2+]CC4)C3)nc12 ZINC001222100035 1299352464 /nfs/dbraw/zinc/35/24/64/1299352464.db2.gz RCVFIFBDPIJMRX-UHFFFAOYSA-N 2 0 347.466 2.310 20 5 EEBDRP [NH3+]CCCC[NH2+]CCCNc1nc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001162289914 1320808543 /nfs/dbraw/zinc/80/85/43/1320808543.db2.gz DVIQPGPSWCFZSJ-UHFFFAOYSA-N 2 0 336.223 2.427 20 5 EEBDRP [NH3+][C@@H]1CCCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173012716 797196376 /nfs/dbraw/zinc/19/63/76/797196376.db2.gz XEYKZZQOUFMWTR-LLVKDONJSA-N 2 0 340.374 2.265 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442772856 242110953 /nfs/dbraw/zinc/11/09/53/242110953.db2.gz WMJIPVLBTQTHIT-MZBDJJRSSA-N 2 0 346.431 2.447 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415001318 279247362 /nfs/dbraw/zinc/24/73/62/279247362.db2.gz LAFFVESYZIUKKU-MGPQQGTHSA-N 2 0 334.420 2.419 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423511385 279379002 /nfs/dbraw/zinc/37/90/02/279379002.db2.gz QEKKUWZIQZVBIX-DUVNUKRYSA-N 2 0 329.404 2.135 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414799212 313092847 /nfs/dbraw/zinc/09/28/47/313092847.db2.gz JXEDUXGOPXKPBV-WWGRRREGSA-N 2 0 334.420 2.419 20 5 EEBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590971381 468388145 /nfs/dbraw/zinc/38/81/45/468388145.db2.gz JKKVYIBSSLFXBT-ZDUSSCGKSA-N 2 0 335.404 2.188 20 5 EEBDRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285404485 464551839 /nfs/dbraw/zinc/55/18/39/464551839.db2.gz UHDFPYYZNKMTDQ-UHFFFAOYSA-N 2 0 348.491 2.485 20 5 EEBDRP O=[N+]([O-])c1cccc(-c2noc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000431033566 467489008 /nfs/dbraw/zinc/48/90/08/467489008.db2.gz QAPPRZXHRGRZTJ-UHFFFAOYSA-N 2 0 343.387 2.220 20 5 EEBDRP C[NH+]1CCC(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000600847977 468669350 /nfs/dbraw/zinc/66/93/50/468669350.db2.gz BENIRHUBTFUSQX-UHFFFAOYSA-N 2 0 347.463 2.280 20 5 EEBDRP COc1ccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000592471217 468705206 /nfs/dbraw/zinc/70/52/06/468705206.db2.gz MMFOZVWYQQWNDW-UHFFFAOYSA-N 2 0 335.404 2.199 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000593736125 469115921 /nfs/dbraw/zinc/11/59/21/469115921.db2.gz GSZUQADLRZZGFG-AHIWAGSCSA-N 2 0 337.395 2.452 20 5 EEBDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602591306 469375704 /nfs/dbraw/zinc/37/57/04/469375704.db2.gz YSFSURHPJPDKFI-CYBMUJFWSA-N 2 0 336.392 2.182 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC001308590342 1331599579 /nfs/dbraw/zinc/59/95/79/1331599579.db2.gz FQJQEWMBQXEDJX-IBGZPJMESA-N 2 0 347.459 2.306 20 5 EEBDRP O=C(CC[N@@H+]1CCCC2(CC[NH2+]CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC001118198369 1371778968 /nfs/dbraw/zinc/77/89/68/1371778968.db2.gz LWUXWZIJBLSWPQ-UHFFFAOYSA-N 2 0 346.431 2.389 20 5 EEBDRP C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118198527 1371779017 /nfs/dbraw/zinc/77/90/17/1371779017.db2.gz OMBNHVGLHVLMQK-AWEZNQCLSA-N 2 0 346.431 2.387 20 5 EEBDRP CC1CC[NH+](CCCNC(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1 ZINC001576731223 1403600872 /nfs/dbraw/zinc/60/08/72/1403600872.db2.gz GVQIUROXTOELEC-GOSISDBHSA-N 2 0 348.447 2.007 20 5 EEBDRP CN(Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376800470 167395865 /nfs/dbraw/zinc/39/58/65/167395865.db2.gz ZLLOFGCCAAISSD-SFHVURJKSA-N 2 0 332.448 2.195 20 5 EEBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449253614 278231890 /nfs/dbraw/zinc/23/18/90/278231890.db2.gz ZNWIEUNLJRVWDA-HOTGVXAUSA-N 2 0 334.464 2.141 20 5 EEBDRP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284062235 293025808 /nfs/dbraw/zinc/02/58/08/293025808.db2.gz KWJDTGJGQFAJJG-OAHLLOKOSA-N 2 0 349.479 2.245 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054809 315225703 /nfs/dbraw/zinc/22/57/03/315225703.db2.gz AFWAJFKEWKPDEM-AWEZNQCLSA-N 2 0 334.420 2.293 20 5 EEBDRP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000150790713 463428775 /nfs/dbraw/zinc/42/87/75/463428775.db2.gz XPICWYCRZJXGEY-OAHLLOKOSA-N 2 0 346.431 2.341 20 5 EEBDRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072860938 463556472 /nfs/dbraw/zinc/55/64/72/463556472.db2.gz GYMFDMHNCAHLRM-AWEZNQCLSA-N 2 0 334.420 2.197 20 5 EEBDRP C[N@@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(C)C ZINC000282393817 464801420 /nfs/dbraw/zinc/80/14/20/464801420.db2.gz PEBIGLPWEPOGAT-UHFFFAOYSA-N 2 0 340.855 2.364 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414914217 467448278 /nfs/dbraw/zinc/44/82/78/467448278.db2.gz XPBVJMOKTMUUIV-ZDUSSCGKSA-N 2 0 334.420 2.291 20 5 EEBDRP Cn1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435371083 467463120 /nfs/dbraw/zinc/46/31/20/467463120.db2.gz SJMJOODOUVMEMN-CYBMUJFWSA-N 2 0 329.404 2.166 20 5 EEBDRP C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000415126292 467495895 /nfs/dbraw/zinc/49/58/95/467495895.db2.gz LXYAQPYPQCOVSY-HIFRSBDPSA-N 2 0 343.431 2.412 20 5 EEBDRP Cn1cncc1CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000582972731 468624695 /nfs/dbraw/zinc/62/46/95/468624695.db2.gz PNRMNVPUOLDERI-UHFFFAOYSA-N 2 0 329.404 2.083 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1CC[NH+](C3CC3)CC1)OCCO2 ZINC000618601555 469399873 /nfs/dbraw/zinc/39/98/73/469399873.db2.gz GKBRDPSARWESSL-UHFFFAOYSA-N 2 0 347.415 2.330 20 5 EEBDRP Cc1nc(Cl)nc(-n2cc(CC[NH3+])c3c[nH+]ccc32)c1[N+](=O)[O-] ZINC001160944354 1320325454 /nfs/dbraw/zinc/32/54/54/1320325454.db2.gz GHKOTSFHLFWQLZ-UHFFFAOYSA-N 2 0 332.751 2.187 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001163125473 1321043249 /nfs/dbraw/zinc/04/32/49/1321043249.db2.gz CHZMANSZYRCHMQ-UHFFFAOYSA-N 2 0 330.392 2.421 20 5 EEBDRP C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC001575082029 1343730274 /nfs/dbraw/zinc/73/02/74/1343730274.db2.gz LAPMMZGLJUTNKO-AWEZNQCLSA-N 2 0 346.431 2.387 20 5 EEBDRP CC(C)N1CCC[C@H]([NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC001357128131 1373209775 /nfs/dbraw/zinc/20/97/75/1373209775.db2.gz YLVFMWRFPKGEGZ-AWEZNQCLSA-N 2 0 334.420 2.386 20 5 EEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000344793739 161246370 /nfs/dbraw/zinc/24/63/70/161246370.db2.gz PCBHBQGSIOOWAG-SSZFMOIBSA-N 2 0 332.448 2.225 20 5 EEBDRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000375902075 167222302 /nfs/dbraw/zinc/22/23/02/167222302.db2.gz MCKIKVCSSHBDKQ-LJQANCHMSA-N 2 0 346.475 2.238 20 5 EEBDRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000274871040 269067308 /nfs/dbraw/zinc/06/73/08/269067308.db2.gz XBAJPDIVSSPIGD-RDJZCZTQSA-N 2 0 343.431 2.292 20 5 EEBDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420389339 313948997 /nfs/dbraw/zinc/94/89/97/313948997.db2.gz YCSISCGDQOTQTL-MSOLQXFVSA-N 2 0 349.431 2.192 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054811 315225512 /nfs/dbraw/zinc/22/55/12/315225512.db2.gz AGFWTJFFFVLEAU-AWEZNQCLSA-N 2 0 334.420 2.293 20 5 EEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000139980359 463335015 /nfs/dbraw/zinc/33/50/15/463335015.db2.gz QBURJAMMFIKMLA-ZBFHGGJFSA-N 2 0 346.431 2.340 20 5 EEBDRP C[NH+](C)C1CCC([NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591505422 468478011 /nfs/dbraw/zinc/47/80/11/468478011.db2.gz QVUVGMOWSWVHHL-UHFFFAOYSA-N 2 0 335.404 2.328 20 5 EEBDRP CN(CCCC[NH+]1CCCCC1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000603112357 469268061 /nfs/dbraw/zinc/26/80/61/469268061.db2.gz XDWLKOPRJKDHCF-UHFFFAOYSA-N 2 0 348.447 2.392 20 5 EEBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602591307 469376176 /nfs/dbraw/zinc/37/61/76/469376176.db2.gz YSFSURHPJPDKFI-ZDUSSCGKSA-N 2 0 336.392 2.182 20 5 EEBDRP O=[N+]([O-])c1ncccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000886118656 1202474805 /nfs/dbraw/zinc/47/48/05/1202474805.db2.gz MOQGJEJMCPKMCJ-UHFFFAOYSA-N 2 0 348.447 2.314 20 5 EEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246983357 1310488395 /nfs/dbraw/zinc/48/83/95/1310488395.db2.gz FOJMJBILKXDHLL-RDJZCZTQSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001246982321 1310488931 /nfs/dbraw/zinc/48/89/31/1310488931.db2.gz AWVVHVLJEGZIFH-QAPCUYQASA-N 2 0 334.464 2.141 20 5 EEBDRP [NH3+][C@H]1CC[C@H]([N@H+](C2COC2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587106 1318135275 /nfs/dbraw/zinc/13/52/75/1318135275.db2.gz VNAWAYSWTHPQMW-BFYDXBDKSA-N 2 0 331.416 2.033 20 5 EEBDRP COc1ccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169006342 803568065 /nfs/dbraw/zinc/56/80/65/803568065.db2.gz XOVWAZKBNFIGLB-GOEBONIOSA-N 2 0 333.432 2.390 20 5 EEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247012444 160305439 /nfs/dbraw/zinc/30/54/39/160305439.db2.gz QAITVPCUPNIGJA-RHSMWYFYSA-N 2 0 346.431 2.340 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342098310 161039458 /nfs/dbraw/zinc/03/94/58/161039458.db2.gz IFJVEFUKVLMYNH-BPUTZDHNSA-N 2 0 346.431 2.291 20 5 EEBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCCN2CC[NH2+]CC2)o1 ZINC000414775383 313085122 /nfs/dbraw/zinc/08/51/22/313085122.db2.gz CKBGRYLHAKEBKS-UHFFFAOYSA-N 2 0 344.415 2.240 20 5 EEBDRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000578907535 468277984 /nfs/dbraw/zinc/27/79/84/468277984.db2.gz YYZZYFAGLDLMPV-KRWDZBQOSA-N 2 0 332.448 2.199 20 5 EEBDRP Cn1cc(CN2CC[C@@H](C[NH+](C)C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000125456443 463546456 /nfs/dbraw/zinc/54/64/56/463546456.db2.gz PBNLXODSHAYXBR-AWEZNQCLSA-N 2 0 343.431 2.379 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424285025 467021762 /nfs/dbraw/zinc/02/17/62/467021762.db2.gz DWZXEFLMZFRQOP-CQSZACIVSA-N 2 0 346.431 2.306 20 5 EEBDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435375924 467464101 /nfs/dbraw/zinc/46/41/01/467464101.db2.gz OXVRYZNRGSJPMH-GXTWGEPZSA-N 2 0 329.404 2.164 20 5 EEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1F ZINC000176820297 679414603 /nfs/dbraw/zinc/41/46/03/679414603.db2.gz ZRVZGHJQJQQKNS-UHFFFAOYSA-N 2 0 326.416 2.444 20 5 EEBDRP O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C[C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC001246187544 1310256764 /nfs/dbraw/zinc/25/67/64/1310256764.db2.gz PKTOSMQOXQHLDM-GFCCVEGCSA-N 2 0 340.374 2.183 20 5 EEBDRP Cn1cc(C[NH2+]C2CCC([NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000843104480 1315843546 /nfs/dbraw/zinc/84/35/46/1315843546.db2.gz KPCAFYIOTRHDSP-UHFFFAOYSA-N 2 0 329.404 2.355 20 5 EEBDRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000459744797 245232003 /nfs/dbraw/zinc/23/20/03/245232003.db2.gz XWFOVVLPCIPVBU-ZDUSSCGKSA-N 2 0 337.420 2.434 20 5 EEBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423465462 295215615 /nfs/dbraw/zinc/21/56/15/295215615.db2.gz RZRQWZVHNGAHKO-GQZSBWEKSA-N 2 0 333.436 2.381 20 5 EEBDRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000578907536 468278461 /nfs/dbraw/zinc/27/84/61/468278461.db2.gz YYZZYFAGLDLMPV-QGZVFWFLSA-N 2 0 332.448 2.199 20 5 EEBDRP C[N@@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000579943884 468439228 /nfs/dbraw/zinc/43/92/28/468439228.db2.gz WQDNWEGZSKLYAH-CQSZACIVSA-N 2 0 334.420 2.245 20 5 EEBDRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372989763 466655524 /nfs/dbraw/zinc/65/55/24/466655524.db2.gz KQQITWILMKMVFJ-OAHLLOKOSA-N 2 0 334.420 2.340 20 5 EEBDRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000376381727 466908882 /nfs/dbraw/zinc/90/88/82/466908882.db2.gz BRVFRZFHQONBHH-UHFFFAOYSA-N 2 0 346.431 2.002 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000424290601 467023956 /nfs/dbraw/zinc/02/39/56/467023956.db2.gz MYCONCTXWRJITR-AWEZNQCLSA-N 2 0 349.431 2.446 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430553992 467438040 /nfs/dbraw/zinc/43/80/40/467438040.db2.gz LYZOGDYPWHWDQN-KGLIPLIRSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430553993 467438359 /nfs/dbraw/zinc/43/83/59/467438359.db2.gz LYZOGDYPWHWDQN-UONOGXRCSA-N 2 0 334.420 2.291 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000593314751 468936570 /nfs/dbraw/zinc/93/65/70/468936570.db2.gz HGILOFZQGXNKCO-JJRVBVJISA-N 2 0 337.395 2.452 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000593315581 468936771 /nfs/dbraw/zinc/93/67/71/468936771.db2.gz MPHJLUZONRZMKT-MCIONIFRSA-N 2 0 325.434 2.375 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593736136 469116721 /nfs/dbraw/zinc/11/67/21/469116721.db2.gz GYCFPVBEHYKKLW-RKVPGOIHSA-N 2 0 349.431 2.192 20 5 EEBDRP CC(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000262121962 683892980 /nfs/dbraw/zinc/89/29/80/683892980.db2.gz MEKLMQWPAOFKKE-INIZCTEOSA-N 2 0 332.448 2.198 20 5 EEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC001579877231 1344424358 /nfs/dbraw/zinc/42/43/58/1344424358.db2.gz DZJDSPKFSPSOIR-OAHLLOKOSA-N 2 0 335.452 2.201 20 5 EEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC001579877230 1344424893 /nfs/dbraw/zinc/42/48/93/1344424893.db2.gz DZJDSPKFSPSOIR-HNNXBMFYSA-N 2 0 335.452 2.201 20 5 EEBDRP [NH3+][C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C12CCOCC2 ZINC001580162776 1403840432 /nfs/dbraw/zinc/84/04/32/1403840432.db2.gz FPICKKIEKGRUCA-CABCVRRESA-N 2 0 339.823 2.277 20 5 EEBDRP [NH3+][C@H]1CCCN(C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C1 ZINC001173012717 797196404 /nfs/dbraw/zinc/19/64/04/797196404.db2.gz XEYKZZQOUFMWTR-NSHDSACASA-N 2 0 340.374 2.265 20 5 EEBDRP COc1cccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168999806 803565040 /nfs/dbraw/zinc/56/50/40/803565040.db2.gz VZJSWPUAZMUDGN-GOEBONIOSA-N 2 0 333.432 2.390 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342100382 161039203 /nfs/dbraw/zinc/03/92/03/161039203.db2.gz KCOKEZBLBOYXOH-CWRNSKLLSA-N 2 0 346.431 2.291 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000114198720 462631259 /nfs/dbraw/zinc/63/12/59/462631259.db2.gz GTNHGIKMHMHMCT-CQSZACIVSA-N 2 0 334.420 2.115 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269994757 464152210 /nfs/dbraw/zinc/15/22/10/464152210.db2.gz HICKTQCSYTUHNN-RDJZCZTQSA-N 2 0 347.459 2.352 20 5 EEBDRP COc1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431036080 467489284 /nfs/dbraw/zinc/48/92/84/467489284.db2.gz DLNBLAQGTJCSGL-UHFFFAOYSA-N 2 0 335.404 2.058 20 5 EEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000449744365 467705026 /nfs/dbraw/zinc/70/50/26/467705026.db2.gz GOURASOZFUAJNQ-UHFFFAOYSA-N 2 0 326.466 2.162 20 5 EEBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000583944876 468777587 /nfs/dbraw/zinc/77/75/87/468777587.db2.gz ZHYAGRCIYSSTGU-WMLDXEAASA-N 2 0 333.432 2.409 20 5 EEBDRP CC(C)[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602502671 469341581 /nfs/dbraw/zinc/34/15/81/469341581.db2.gz MVFJNDORWXNYAZ-UHFFFAOYSA-N 2 0 347.463 2.421 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000602569315 469365578 /nfs/dbraw/zinc/36/55/78/469365578.db2.gz PSCLFLBDDOJGMN-OALUTQOASA-N 2 0 347.459 2.495 20 5 EEBDRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892562788 681786400 /nfs/dbraw/zinc/78/64/00/681786400.db2.gz LWBHJHCYOGSQTO-UHFFFAOYSA-N 2 0 340.855 2.365 20 5 EEBDRP Cn1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000904404691 694385298 /nfs/dbraw/zinc/38/52/98/694385298.db2.gz CRYCJFFUHIYOJU-ZDUSSCGKSA-N 2 0 329.404 2.166 20 5 EEBDRP CCN1CC[NH+](CCCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873012825 1198474427 /nfs/dbraw/zinc/47/44/27/1198474427.db2.gz XOMOQAACOJHUAV-UHFFFAOYSA-N 2 0 334.464 2.411 20 5 EEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001254558815 1318121653 /nfs/dbraw/zinc/12/16/53/1318121653.db2.gz VXOREFMADJWJNQ-AYOQOUSVSA-N 2 0 346.475 2.236 20 5 EEBDRP O=[N+]([O-])c1cc2c(cc1NC[C@@H]1CCC3(CC[NH2+]CC3)CO1)C[NH2+]C2 ZINC001162963423 1320998454 /nfs/dbraw/zinc/99/84/54/1320998454.db2.gz SCIBWKGBWHIVNX-HNNXBMFYSA-N 2 0 346.431 2.159 20 5 EEBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001336804608 1336597643 /nfs/dbraw/zinc/59/76/43/1336597643.db2.gz NJLLYKKYIIIUEJ-MAUKXSAKSA-N 2 0 333.432 2.340 20 5 EEBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC001336804610 1336597802 /nfs/dbraw/zinc/59/78/02/1336597802.db2.gz NJLLYKKYIIIUEJ-YJBOKZPZSA-N 2 0 333.432 2.340 20 5 EEBDRP COc1ccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001169006341 803568010 /nfs/dbraw/zinc/56/80/10/803568010.db2.gz XOVWAZKBNFIGLB-GDBMZVCRSA-N 2 0 333.432 2.390 20 5 EEBDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293748294 293285676 /nfs/dbraw/zinc/28/56/76/293285676.db2.gz NZGFRRQBDCYQFS-LSDHHAIUSA-N 2 0 349.479 2.101 20 5 EEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464565 320027990 /nfs/dbraw/zinc/02/79/90/320027990.db2.gz MTBXKOIPVCJZET-YOEHRIQHSA-N 2 0 332.448 2.198 20 5 EEBDRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000265910642 464728885 /nfs/dbraw/zinc/72/88/85/464728885.db2.gz XRKSPCGLSLTYFV-UHFFFAOYSA-N 2 0 345.399 2.401 20 5 EEBDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000351865476 465406243 /nfs/dbraw/zinc/40/62/43/465406243.db2.gz NLCOYJUXRQWREX-TZMCWYRMSA-N 2 0 330.388 2.461 20 5 EEBDRP O=C(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000357068237 465740390 /nfs/dbraw/zinc/74/03/90/465740390.db2.gz DPMMHWCFURHJNR-OAHLLOKOSA-N 2 0 346.431 2.245 20 5 EEBDRP COc1ccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000357083042 465756642 /nfs/dbraw/zinc/75/66/42/465756642.db2.gz IJGKLSDELJFKPA-OAHLLOKOSA-N 2 0 349.431 2.304 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420418656 467402224 /nfs/dbraw/zinc/40/22/24/467402224.db2.gz XCMJOMDSNGFMLT-TZMCWYRMSA-N 2 0 334.420 2.149 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430943412 467479913 /nfs/dbraw/zinc/47/99/13/467479913.db2.gz HZTRESKJKIKOFR-ZDUSSCGKSA-N 2 0 334.420 2.291 20 5 EEBDRP CC[C@@H]1C[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592489127 468709746 /nfs/dbraw/zinc/70/97/46/468709746.db2.gz RENPHSVPLQATTM-KGLIPLIRSA-N 2 0 334.420 2.291 20 5 EEBDRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000595505487 468880656 /nfs/dbraw/zinc/88/06/56/468880656.db2.gz UUMRICXOSJGVRZ-SFHVURJKSA-N 2 0 346.431 2.341 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000602516136 469346796 /nfs/dbraw/zinc/34/67/96/469346796.db2.gz IHQLSYIMUIXTDT-HOTGVXAUSA-N 2 0 345.447 2.175 20 5 EEBDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000892574835 681829553 /nfs/dbraw/zinc/82/95/53/681829553.db2.gz NSKCYPPICRHRJS-CYBMUJFWSA-N 2 0 340.855 2.364 20 5 EEBDRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@](C)(N)c1cccc([N+](=O)[O-])c1 ZINC000876773274 1199767969 /nfs/dbraw/zinc/76/79/69/1199767969.db2.gz YEBHOOQHFYZNCG-QAPCUYQASA-N 2 0 348.447 2.102 20 5 EEBDRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001230374383 1303183100 /nfs/dbraw/zinc/18/31/00/1303183100.db2.gz URRFXOYXXKKRRP-UHFFFAOYSA-N 2 0 348.447 2.016 20 5 EEBDRP COc1cc(N2CCC([NH+]3CCC(C)([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001256089786 1318644747 /nfs/dbraw/zinc/64/47/47/1318644747.db2.gz IYBQJUWCXNXALS-UHFFFAOYSA-N 2 0 348.447 2.385 20 5 EEBDRP CC1(C)C[C@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@@](C)(C[NH3+])C1 ZINC001158272139 1319131922 /nfs/dbraw/zinc/13/19/22/1319131922.db2.gz SXONKQNHVAOJEA-YVEFUNNKSA-N 2 0 348.451 2.027 20 5 EEBDRP COc1cccc(C2([NH3+])CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168999805 803565072 /nfs/dbraw/zinc/56/50/72/803565072.db2.gz VZJSWPUAZMUDGN-GDBMZVCRSA-N 2 0 333.432 2.390 20 5 EEBDRP Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000342103368 161039597 /nfs/dbraw/zinc/03/95/97/161039597.db2.gz MSXQSEZBRGCSEL-KKUMJFAQSA-N 2 0 346.431 2.291 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000414783844 313088491 /nfs/dbraw/zinc/08/84/91/313088491.db2.gz RGUFKAPYVNPIEV-AEFFLSMTSA-N 2 0 346.475 2.191 20 5 EEBDRP C[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000162489542 463514363 /nfs/dbraw/zinc/51/43/63/463514363.db2.gz ZOZOHEIJXZZXFZ-GOSISDBHSA-N 2 0 346.475 2.143 20 5 EEBDRP Cn1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000591278592 468437273 /nfs/dbraw/zinc/43/72/73/468437273.db2.gz UQRKYGYTJSDDMX-OAHLLOKOSA-N 2 0 329.404 2.227 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423553603 466772966 /nfs/dbraw/zinc/77/29/66/466772966.db2.gz KNPYQAWRHRXYCQ-CYBMUJFWSA-N 2 0 332.404 2.211 20 5 EEBDRP CN1CCN(C)[C@H](C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417317853 466832078 /nfs/dbraw/zinc/83/20/78/466832078.db2.gz XNHRUVGIDKPPPI-SJLPKXTDSA-N 2 0 332.448 2.198 20 5 EEBDRP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000591726556 468510961 /nfs/dbraw/zinc/51/09/61/468510961.db2.gz MRTYLJKKDVPPAB-UONOGXRCSA-N 2 0 332.404 2.140 20 5 EEBDRP CC[N@H+](C)CCC(=O)NC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC001229895128 1302978995 /nfs/dbraw/zinc/97/89/95/1302978995.db2.gz DPUOPDIKTSMNKM-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC[NH2+]C[C@@H]3F)CC2)cc1 ZINC001246478883 1310318445 /nfs/dbraw/zinc/31/84/45/1310318445.db2.gz YSDWJWBPPKSIRZ-GUYCJALGSA-N 2 0 336.411 2.101 20 5 EEBDRP COc1cc(N2CCC([NH+]3CCC(C[NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001246537256 1310335924 /nfs/dbraw/zinc/33/59/24/1310335924.db2.gz HAXXGTLJNUUTDP-UHFFFAOYSA-N 2 0 348.447 2.243 20 5 EEBDRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382982 1315904410 /nfs/dbraw/zinc/90/44/10/1315904410.db2.gz BZZUOWGPOMDHFD-LBPRGKRZSA-N 2 0 338.383 2.266 20 5 EEBDRP C[C@H](N[C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001576235471 1343986604 /nfs/dbraw/zinc/98/66/04/1343986604.db2.gz UVFPMOJGZCNFBF-CKLFPEKLSA-N 2 0 340.811 2.291 20 5 EEBDRP COc1ccc(CC2([NH3+])CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997055 803562428 /nfs/dbraw/zinc/56/24/28/803562428.db2.gz BGVFFIJTDVRCGG-SJORKVTESA-N 2 0 347.459 2.476 20 5 EEBDRP CC[N@H+]([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033667 803578568 /nfs/dbraw/zinc/57/85/68/803578568.db2.gz DEXHSGPMTPHMHQ-USXIJHARSA-N 2 0 325.453 2.007 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000344851193 161250903 /nfs/dbraw/zinc/25/09/03/161250903.db2.gz LEWRHHOPQDYELT-SFKKXYGYSA-N 2 0 332.448 2.224 20 5 EEBDRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293742026 293283870 /nfs/dbraw/zinc/28/38/70/293283870.db2.gz NOMFHQUFKDUUIX-CQSZACIVSA-N 2 0 349.479 2.101 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414960918 313115849 /nfs/dbraw/zinc/11/58/49/313115849.db2.gz AUXBFWSXHPZGHA-KBPBESRZSA-N 2 0 334.420 2.434 20 5 EEBDRP Cc1ccc([C@H](C)NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000433119433 314748253 /nfs/dbraw/zinc/74/82/53/314748253.db2.gz VGKBKZVONKOPSZ-AWEZNQCLSA-N 2 0 348.447 2.284 20 5 EEBDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563549403 319022496 /nfs/dbraw/zinc/02/24/96/319022496.db2.gz REBWRGPNQCNYLJ-QGZVFWFLSA-N 2 0 332.448 2.198 20 5 EEBDRP C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCC[NH+]1CCCC1 ZINC000281453577 464459477 /nfs/dbraw/zinc/45/94/77/464459477.db2.gz UTXAIKFXVVIVRE-AWEZNQCLSA-N 2 0 334.420 2.340 20 5 EEBDRP [NH3+]CC[C@@H]1CCCCN1CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352488503 465532874 /nfs/dbraw/zinc/53/28/74/465532874.db2.gz QXIDWDUHXFYNGW-LBPRGKRZSA-N 2 0 340.811 2.390 20 5 EEBDRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261992416 682751280 /nfs/dbraw/zinc/75/12/80/682751280.db2.gz MPBRWYYRHNZBGE-UHFFFAOYSA-N 2 0 334.420 2.245 20 5 EEBDRP [NH3+][C@H](C(=O)Nc1cc2cccnc2c2ncccc12)C1CC[NH2+]CC1 ZINC001218980135 1297892329 /nfs/dbraw/zinc/89/23/29/1297892329.db2.gz UKIMSAKDVMVYJO-INIZCTEOSA-N 2 0 335.411 2.048 20 5 EEBDRP COc1cc(N2CCC([NH2+][C@H]3CCCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC001246474890 1310319169 /nfs/dbraw/zinc/31/91/69/1310319169.db2.gz CMPLRSCQHRPLMN-CVEARBPZSA-N 2 0 348.447 2.432 20 5 EEBDRP CCCC[NH+](CCCC)CCCOC(=O)C[C@@H](O)C[N+](C)(C)C ZINC001224755282 784070816 /nfs/dbraw/zinc/07/08/16/784070816.db2.gz LVXKTNBEDGCEQG-QGZVFWFLSA-N 2 0 331.521 2.279 20 5 EEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000120923851 292258991 /nfs/dbraw/zinc/25/89/91/292258991.db2.gz ZTIYTQNXSZKDKI-ZBFHGGJFSA-N 2 0 334.464 2.437 20 5 EEBDRP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000414787172 313088685 /nfs/dbraw/zinc/08/86/85/313088685.db2.gz VEGYVFNINUGTMP-ZIAGYGMSSA-N 2 0 349.431 2.434 20 5 EEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000139826105 463333519 /nfs/dbraw/zinc/33/35/19/463333519.db2.gz QAITVPCUPNIGJA-YOEHRIQHSA-N 2 0 346.431 2.340 20 5 EEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000072597162 463524263 /nfs/dbraw/zinc/52/42/63/463524263.db2.gz IMCZRDMUULOULZ-AWEZNQCLSA-N 2 0 348.447 2.046 20 5 EEBDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000373140246 466705317 /nfs/dbraw/zinc/70/53/17/466705317.db2.gz MNUBPXHNQPEPED-QAPCUYQASA-N 2 0 343.431 2.292 20 5 EEBDRP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420338432 467365732 /nfs/dbraw/zinc/36/57/32/467365732.db2.gz XZDGFKQYICAKPT-CABCVRRESA-N 2 0 349.431 2.304 20 5 EEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376150 467384601 /nfs/dbraw/zinc/38/46/01/467384601.db2.gz JQGKKHTWIRWRKD-GXTWGEPZSA-N 2 0 330.392 2.043 20 5 EEBDRP CC[NH2+]CC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000430592231 467447919 /nfs/dbraw/zinc/44/79/19/467447919.db2.gz PUBJQIFJUJNTDI-KRWDZBQOSA-N 2 0 346.431 2.022 20 5 EEBDRP [NH3+]CC1(O)CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000415144228 467499983 /nfs/dbraw/zinc/49/99/83/467499983.db2.gz UFIWWGPSPLAVLD-UHFFFAOYSA-N 2 0 331.372 2.140 20 5 EEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449080237 467617078 /nfs/dbraw/zinc/61/70/78/467617078.db2.gz UNEFGRRWUMAOOM-CVEARBPZSA-N 2 0 334.464 2.141 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1CC[NH2+]CC1 ZINC000593324699 468939483 /nfs/dbraw/zinc/93/94/83/468939483.db2.gz YOPZNPXRQPNWHJ-ZDUSSCGKSA-N 2 0 334.420 2.291 20 5 EEBDRP COc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])cc1OC ZINC000261929106 676608755 /nfs/dbraw/zinc/60/87/55/676608755.db2.gz CNXSEONUKUZSCI-UHFFFAOYSA-N 2 0 335.404 2.188 20 5 EEBDRP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001230101566 1303058777 /nfs/dbraw/zinc/05/87/77/1303058777.db2.gz RWHAGYHIHJRDRI-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[C@H]1CC[NH2+]C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246116093 1310239410 /nfs/dbraw/zinc/23/94/10/1310239410.db2.gz UUOYXGVFZVPWPN-GJZGRUSLSA-N 2 0 332.448 2.399 20 5 EEBDRP C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCC([NH3+])CC1 ZINC000843355418 1315899611 /nfs/dbraw/zinc/89/96/11/1315899611.db2.gz NZEFZMARNGCBNT-UHFFFAOYSA-N 2 0 348.403 2.095 20 5 EEBDRP C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC001576317754 1343997510 /nfs/dbraw/zinc/99/75/10/1343997510.db2.gz ZLIAGRVKGRLLDA-NWDGAFQWSA-N 2 0 331.376 2.377 20 5 EEBDRP C[NH+](C)CCC[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173007633 797194495 /nfs/dbraw/zinc/19/44/95/797194495.db2.gz VQLAIUUUIVGHIF-UHFFFAOYSA-N 2 0 342.390 2.383 20 5 EEBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000067651432 215174615 /nfs/dbraw/zinc/17/46/15/215174615.db2.gz RMWNQCLUVSHUKV-UHFFFAOYSA-N 2 0 349.431 2.018 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856213 313103297 /nfs/dbraw/zinc/10/32/97/313103297.db2.gz OBPGLXYQISRQBF-MGPQQGTHSA-N 2 0 334.420 2.290 20 5 EEBDRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000411770256 466897938 /nfs/dbraw/zinc/89/79/38/466897938.db2.gz LWBRMKTUARAHGI-AWEZNQCLSA-N 2 0 348.447 2.234 20 5 EEBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N[C@H]1CC[NH2+]C1 ZINC001220282607 1298340244 /nfs/dbraw/zinc/34/02/44/1298340244.db2.gz MAKJEKMOCSDBGZ-JXFKEZNVSA-N 2 0 333.435 2.341 20 5 EEBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001163129472 1321045436 /nfs/dbraw/zinc/04/54/36/1321045436.db2.gz ZRYLHZUYLMAHRX-UHFFFAOYSA-N 2 0 330.392 2.421 20 5 EEBDRP [NH3+]C[C@@]1(O)CCCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001205688541 1323246224 /nfs/dbraw/zinc/24/62/24/1323246224.db2.gz JBRNWOWJMJDYTI-FQEVSTJZSA-N 2 0 336.439 2.459 20 5 EEBDRP COc1c(O)ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000894066836 780487049 /nfs/dbraw/zinc/48/70/49/780487049.db2.gz FTILFUJQBHEVTJ-UHFFFAOYSA-N 2 0 335.404 2.273 20 5 EEBDRP [NH3+]C[C@H]1COc2ccccc2N1c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001171393498 794574951 /nfs/dbraw/zinc/57/49/51/794574951.db2.gz LDSQIUUCLDIKBB-ZDUSSCGKSA-N 2 0 326.356 2.056 20 5 EEBDRP COc1cc[nH+]c(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)c1 ZINC001169050621 803595499 /nfs/dbraw/zinc/59/54/99/803595499.db2.gz BYXCTJKCELJIIH-DZGCQCFKSA-N 2 0 334.420 2.094 20 5 EEBDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091598 240360711 /nfs/dbraw/zinc/36/07/11/240360711.db2.gz XUGSRYDIZYEVCX-CUOATXAZSA-N 2 0 347.337 2.456 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423334006 240443197 /nfs/dbraw/zinc/44/31/97/240443197.db2.gz QFUQHVPFBMOWGO-CYBMUJFWSA-N 2 0 334.420 2.291 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414904027 313111300 /nfs/dbraw/zinc/11/13/00/313111300.db2.gz JLORPAWHQAVAFO-DYVFJYSZSA-N 2 0 334.420 2.291 20 5 EEBDRP Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cccc1[N+](=O)[O-] ZINC000443056939 315226175 /nfs/dbraw/zinc/22/61/75/315226175.db2.gz DULRFSJRENJZSP-KGLIPLIRSA-N 2 0 334.420 2.291 20 5 EEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)CN(CC[NH+](C)C)CC[NH+](C)C ZINC000569625811 319594349 /nfs/dbraw/zinc/59/43/49/319594349.db2.gz ODUXSBVWGGDOND-DTQAZKPQSA-N 2 0 334.464 2.423 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000590594991 468282279 /nfs/dbraw/zinc/28/22/79/468282279.db2.gz VRVRESIMLWXGNP-INIZCTEOSA-N 2 0 333.432 2.228 20 5 EEBDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420393723 467393057 /nfs/dbraw/zinc/39/30/57/467393057.db2.gz QTZDAONVGVRAPA-YJBOKZPZSA-N 2 0 349.431 2.192 20 5 EEBDRP C[NH+]1CCN(c2cc[nH+]c(NCc3csc([N+](=O)[O-])c3)c2)CC1 ZINC000601151117 468762595 /nfs/dbraw/zinc/76/25/95/468762595.db2.gz PHYFBPBQZILTIA-UHFFFAOYSA-N 2 0 333.417 2.415 20 5 EEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602808948 469089904 /nfs/dbraw/zinc/08/99/04/469089904.db2.gz FYRTWWZJZLSRMB-ZFWWWQNUSA-N 2 0 335.452 2.342 20 5 EEBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736233 469117592 /nfs/dbraw/zinc/11/75/92/469117592.db2.gz KGUNEFRPRQZLGV-JCKWVBRZSA-N 2 0 349.431 2.322 20 5 EEBDRP C[N@@H+]1CC[C@@H]2CN(Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]2C1 ZINC000931432082 1207377868 /nfs/dbraw/zinc/37/78/68/1207377868.db2.gz HSCATTLPFQQYTL-KGLIPLIRSA-N 2 0 343.387 2.028 20 5 EEBDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818953647 785341661 /nfs/dbraw/zinc/34/16/61/785341661.db2.gz OGZRNYJXTSYJAP-GOSISDBHSA-N 2 0 329.400 2.480 20 5 EEBDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041483 240340388 /nfs/dbraw/zinc/34/03/88/240340388.db2.gz JCEJBYSJTZHMKQ-LEWSCRJBSA-N 2 0 327.812 2.133 20 5 EEBDRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000266507406 279372887 /nfs/dbraw/zinc/37/28/87/279372887.db2.gz CKADCKUYZGBBDX-HOTGVXAUSA-N 2 0 332.448 2.368 20 5 EEBDRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449195058 315430644 /nfs/dbraw/zinc/43/06/44/315430644.db2.gz VTRUSCGIZZLBNX-OAHLLOKOSA-N 2 0 335.448 2.351 20 5 EEBDRP C[NH+](C)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000339042090 465046089 /nfs/dbraw/zinc/04/60/89/465046089.db2.gz ZMKKFRBHSSWBDE-UHFFFAOYSA-N 2 0 349.435 2.085 20 5 EEBDRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000261969721 463913936 /nfs/dbraw/zinc/91/39/36/463913936.db2.gz CTYOUOYBCAQHLK-UHFFFAOYSA-N 2 0 334.420 2.245 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591579386 468486336 /nfs/dbraw/zinc/48/63/36/468486336.db2.gz VFUFVBFYVGNRRA-SWLSCSKDSA-N 2 0 332.404 2.044 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)C1 ZINC000593315583 468936676 /nfs/dbraw/zinc/93/66/76/468936676.db2.gz MPHJLUZONRZMKT-MJBXVCDLSA-N 2 0 325.434 2.375 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000593729528 469112437 /nfs/dbraw/zinc/11/24/37/469112437.db2.gz GNNFPCQKUHVIRF-NXHRZFHOSA-N 2 0 333.432 2.498 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593735986 469115950 /nfs/dbraw/zinc/11/59/50/469115950.db2.gz CJLKDDBTWNDLHH-HDMKZQKVSA-N 2 0 349.431 2.192 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593736135 469116073 /nfs/dbraw/zinc/11/60/73/469116073.db2.gz GYCFPVBEHYKKLW-IIDMSEBBSA-N 2 0 349.431 2.192 20 5 EEBDRP COC(=O)C1=C[C@H](OCCC[N+](C)(C)C)C[N@H+](Cc2ccccc2)C1 ZINC001224621197 1300673646 /nfs/dbraw/zinc/67/36/46/1300673646.db2.gz MTQPUPOSEZJTCE-IBGZPJMESA-N 2 0 347.479 2.083 20 5 EEBDRP C[NH+](C)CCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001228879582 1302501522 /nfs/dbraw/zinc/50/15/22/1302501522.db2.gz PUBUDGJCAMYYCG-UHFFFAOYSA-N 2 0 348.447 2.017 20 5 EEBDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000818953224 785342027 /nfs/dbraw/zinc/34/20/27/785342027.db2.gz JAXFAJQUFHNFFU-GOSISDBHSA-N 2 0 329.400 2.480 20 5 EEBDRP CC(C)(C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC001127317545 795361650 /nfs/dbraw/zinc/36/16/50/795361650.db2.gz QAGBTWMMUHPTSV-UHFFFAOYSA-N 2 0 348.447 2.065 20 5 EEBDRP CC[N@H+]([C@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033666 803578909 /nfs/dbraw/zinc/57/89/09/803578909.db2.gz DEXHSGPMTPHMHQ-UAGQMJEPSA-N 2 0 325.453 2.007 20 5 EEBDRP Cc1nccn1CCC[N@@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000130681674 223169564 /nfs/dbraw/zinc/16/95/64/223169564.db2.gz MDFSTIOEDJLQAN-UHFFFAOYSA-N 2 0 345.403 2.369 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352510643 162164511 /nfs/dbraw/zinc/16/45/11/162164511.db2.gz OHGSEDPQQBBDGE-CQSZACIVSA-N 2 0 334.420 2.435 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000423511390 294429144 /nfs/dbraw/zinc/42/91/44/294429144.db2.gz QEKKUWZIQZVBIX-XNRPHZJLSA-N 2 0 329.404 2.135 20 5 EEBDRP C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000564854250 319118773 /nfs/dbraw/zinc/11/87/73/319118773.db2.gz MXOAXYFHRTWHPD-CYBMUJFWSA-N 2 0 336.436 2.489 20 5 EEBDRP C[C@@H]1CC2(C[N@@H+]1Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC[NH2+]CC2 ZINC000591668425 468500302 /nfs/dbraw/zinc/50/03/02/468500302.db2.gz XVPWMQBAADVSCR-CYBMUJFWSA-N 2 0 347.415 2.330 20 5 EEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338675 466722264 /nfs/dbraw/zinc/72/22/64/466722264.db2.gz UTRQCUNOJMMANW-SUMWQHHRSA-N 2 0 334.420 2.291 20 5 EEBDRP Cn1ccnc1[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000423340219 466723501 /nfs/dbraw/zinc/72/35/01/466723501.db2.gz VNTSTBWCWXZEFB-MRXNPFEDSA-N 2 0 343.431 2.397 20 5 EEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000423427615 466747615 /nfs/dbraw/zinc/74/76/15/466747615.db2.gz GAEPFMWZSFTTEP-CAOSSQGBSA-N 2 0 333.436 2.253 20 5 EEBDRP C[C@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424288164 467022426 /nfs/dbraw/zinc/02/24/26/467022426.db2.gz KJSKKHONCHSEJC-AWEZNQCLSA-N 2 0 346.431 2.387 20 5 EEBDRP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000420337074 467364954 /nfs/dbraw/zinc/36/49/54/467364954.db2.gz JJAPTYGVBXULLT-OAHLLOKOSA-N 2 0 346.431 2.387 20 5 EEBDRP C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346187 467372010 /nfs/dbraw/zinc/37/20/10/467372010.db2.gz XPFRRIFGIGDRJB-KFWWJZLASA-N 2 0 346.431 2.243 20 5 EEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420422313 467404174 /nfs/dbraw/zinc/40/41/74/467404174.db2.gz ZFSRUIKAZMRJJY-TZMCWYRMSA-N 2 0 334.420 2.149 20 5 EEBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000583944877 468777297 /nfs/dbraw/zinc/77/72/97/468777297.db2.gz ZHYAGRCIYSSTGU-YOEHRIQHSA-N 2 0 333.432 2.409 20 5 EEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593735987 469115973 /nfs/dbraw/zinc/11/59/73/469115973.db2.gz CJLKDDBTWNDLHH-IIDMSEBBSA-N 2 0 349.431 2.192 20 5 EEBDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903975164 1242814396 /nfs/dbraw/zinc/81/43/96/1242814396.db2.gz YPXPLLGLLVLILI-HUUCEWRRSA-N 2 0 332.448 2.399 20 5 EEBDRP C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC001576317758 1343997723 /nfs/dbraw/zinc/99/77/23/1343997723.db2.gz ZLIAGRVKGRLLDA-VXGBXAGGSA-N 2 0 331.376 2.377 20 5 EEBDRP C[NH+](C)CC1(CNC(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCCC1 ZINC001578412458 1403748432 /nfs/dbraw/zinc/74/84/32/1403748432.db2.gz MXZQUGMAPUONPK-KRWDZBQOSA-N 2 0 348.447 2.007 20 5 EEBDRP C[NH+](C)Cc1cccc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000818953649 785341833 /nfs/dbraw/zinc/34/18/33/785341833.db2.gz OGZRNYJXTSYJAP-SFHVURJKSA-N 2 0 329.400 2.480 20 5 EEBDRP O=C(CCC[NH+]1CCCC1)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC001176884388 798613117 /nfs/dbraw/zinc/61/31/17/798613117.db2.gz FRCOPHGFOWFUEA-UHFFFAOYSA-N 2 0 348.447 2.067 20 5 EEBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415033257 275040058 /nfs/dbraw/zinc/04/00/58/275040058.db2.gz GUWOALXRIWKCMH-BHYGNILZSA-N 2 0 333.432 2.274 20 5 EEBDRP COc1cc(CN(C)C2CC([NH3+])C2)c([N+](=O)[O-])cc1OC(F)F ZINC000414765299 313080548 /nfs/dbraw/zinc/08/05/48/313080548.db2.gz BPIZARHKFPIJMH-UHFFFAOYSA-N 2 0 331.319 2.126 20 5 EEBDRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414773581 313084441 /nfs/dbraw/zinc/08/44/41/313084441.db2.gz AKMGKYKNKLZXEU-LFWRUUNESA-N 2 0 331.416 2.436 20 5 EEBDRP C[N@H+](CCCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590781314 468337541 /nfs/dbraw/zinc/33/75/41/468337541.db2.gz QKNRECPJCHKDQU-UHFFFAOYSA-N 2 0 335.404 2.330 20 5 EEBDRP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152416651 463687918 /nfs/dbraw/zinc/68/79/18/463687918.db2.gz VLWDQKLASGPHHD-AWEZNQCLSA-N 2 0 334.420 2.197 20 5 EEBDRP CC(C)[NH+]1CCC(O)(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000268399603 463729254 /nfs/dbraw/zinc/72/92/54/463729254.db2.gz BLYYBEYLBHTKRG-FNORWQNLSA-N 2 0 333.432 2.433 20 5 EEBDRP COc1ccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000357083041 465755242 /nfs/dbraw/zinc/75/52/42/465755242.db2.gz IJGKLSDELJFKPA-HNNXBMFYSA-N 2 0 349.431 2.304 20 5 EEBDRP C[N@H+](CCCO)C1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413148710 467179100 /nfs/dbraw/zinc/17/91/00/467179100.db2.gz YNPQXSIAUANFOE-UHFFFAOYSA-N 2 0 344.415 2.426 20 5 EEBDRP Cn1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414920488 467449546 /nfs/dbraw/zinc/44/95/46/467449546.db2.gz ZMZDHPGLPVCALF-GOSISDBHSA-N 2 0 343.431 2.475 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCC[C@H]([NH3+])C1 ZINC000415001319 467465763 /nfs/dbraw/zinc/46/57/63/467465763.db2.gz LAFFVESYZIUKKU-RDBSUJKOSA-N 2 0 334.420 2.419 20 5 EEBDRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730766 469112366 /nfs/dbraw/zinc/11/23/66/469112366.db2.gz FKZDVRCJGJTJFO-DZGCQCFKSA-N 2 0 334.420 2.373 20 5 EEBDRP CC1(C)C[C@@H](Nc2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)C[C@](C)(C[NH3+])C1 ZINC001158272136 1319131643 /nfs/dbraw/zinc/13/16/43/1319131643.db2.gz SXONKQNHVAOJEA-PXAZEXFGSA-N 2 0 348.451 2.027 20 5 EEBDRP CC[N+](C)(C)Cc1ccccc1-n1nnc(-c2cccc(C[NH3+])c2)n1 ZINC001168884688 803500622 /nfs/dbraw/zinc/50/06/22/803500622.db2.gz MCUAGBPPZLXZFD-UHFFFAOYSA-N 2 0 337.451 2.384 20 5 EEBDRP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000118843069 221195021 /nfs/dbraw/zinc/19/50/21/221195021.db2.gz HXRNXEWEIIPUDB-AWEZNQCLSA-N 2 0 334.420 2.197 20 5 EEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414960930 313116105 /nfs/dbraw/zinc/11/61/05/313116105.db2.gz AUXBFWSXHPZGHA-ZIAGYGMSSA-N 2 0 334.420 2.434 20 5 EEBDRP O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000358497217 465159494 /nfs/dbraw/zinc/15/94/94/465159494.db2.gz ARTMNWGUHJRKPH-UHFFFAOYSA-N 2 0 343.387 2.220 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501399 465162329 /nfs/dbraw/zinc/16/23/29/465162329.db2.gz SVIRVXZTVLNNEQ-UHFFFAOYSA-N 2 0 346.431 2.307 20 5 EEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423543936 466770970 /nfs/dbraw/zinc/77/09/70/466770970.db2.gz CMPJGEMYZOPOBQ-ZDUSSCGKSA-N 2 0 332.404 2.211 20 5 EEBDRP C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420347072 467373329 /nfs/dbraw/zinc/37/33/29/467373329.db2.gz ZXPMGKCKGNDNQG-RBSFLKMASA-N 2 0 346.431 2.243 20 5 EEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420414687 467400496 /nfs/dbraw/zinc/40/04/96/467400496.db2.gz USFYOCHDYWIHGR-GXTWGEPZSA-N 2 0 334.420 2.149 20 5 EEBDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000435372454 467463757 /nfs/dbraw/zinc/46/37/57/467463757.db2.gz RHEZVJROOACXFN-STQMWFEESA-N 2 0 329.404 2.164 20 5 EEBDRP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415100454 467489739 /nfs/dbraw/zinc/48/97/39/467489739.db2.gz AIYKZQLBINJBHW-YJBOKZPZSA-N 2 0 349.431 2.322 20 5 EEBDRP [NH3+]C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCCO1 ZINC000415115333 467492818 /nfs/dbraw/zinc/49/28/18/467492818.db2.gz ULXVYIMVIYEMAY-AWEZNQCLSA-N 2 0 331.372 2.404 20 5 EEBDRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873042762 1198482323 /nfs/dbraw/zinc/48/23/23/1198482323.db2.gz IWAQPXAKJYUZSK-OAHLLOKOSA-N 2 0 334.464 2.266 20 5 EEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000923390864 789478087 /nfs/dbraw/zinc/47/80/87/789478087.db2.gz WMGMWSUXLCTPCG-FUHWJXTLSA-N 2 0 333.432 2.340 20 5 EEBDRP CC[NH+](CC)CCN(CC[NH+](CC)CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039488 803582181 /nfs/dbraw/zinc/58/21/81/803582181.db2.gz QBBZJOWTJBZPCL-QZTJIDSGSA-N 2 0 342.528 2.417 20 5 EEBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449222244 315435565 /nfs/dbraw/zinc/43/55/65/315435565.db2.gz VWYBCOXCWOPOEB-INIZCTEOSA-N 2 0 334.464 2.143 20 5 EEBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000590594992 468281489 /nfs/dbraw/zinc/28/14/89/468281489.db2.gz VRVRESIMLWXGNP-MRXNPFEDSA-N 2 0 333.432 2.228 20 5 EEBDRP O=[N+]([O-])c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000299569916 465806973 /nfs/dbraw/zinc/80/69/73/465806973.db2.gz PEORGUFZWWQQPZ-UHFFFAOYSA-N 2 0 342.403 2.009 20 5 EEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423436905 466749748 /nfs/dbraw/zinc/74/97/48/466749748.db2.gz MAFLJIBTWZFOKB-OAUYIBNBSA-N 2 0 346.431 2.290 20 5 EEBDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420382085 467387247 /nfs/dbraw/zinc/38/72/47/467387247.db2.gz DKCXUGVSCQNGRX-WMZOPIPTSA-N 2 0 333.432 2.356 20 5 EEBDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000435375927 467464229 /nfs/dbraw/zinc/46/42/29/467464229.db2.gz OXVRYZNRGSJPMH-TZMCWYRMSA-N 2 0 329.404 2.164 20 5 EEBDRP Cc1c(NC(=O)CC[NH+]2CCC([C@@H](C)[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000430955821 467482193 /nfs/dbraw/zinc/48/21/93/467482193.db2.gz JMCMCOBHCKDUCR-CYBMUJFWSA-N 2 0 334.420 2.291 20 5 EEBDRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893319988 684661730 /nfs/dbraw/zinc/66/17/30/684661730.db2.gz URTNTMLBXOLKKD-UHFFFAOYSA-N 2 0 340.855 2.365 20 5 EEBDRP C[NH+]1CCN(C(=[NH2+])Nc2ccc3c(ccc(Cl)c3[N+](=O)[O-])n2)CC1 ZINC001157915270 1318928233 /nfs/dbraw/zinc/92/82/33/1318928233.db2.gz OQLIDXWBRAHBGV-UHFFFAOYSA-N 2 0 348.794 2.390 20 5 EEBDRP Cc1cc(NC(=[NH2+])NCCCC[NH3+])nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC001167880187 778969577 /nfs/dbraw/zinc/96/95/77/778969577.db2.gz BDVQMNXSTNKHEM-UHFFFAOYSA-N 2 0 343.391 2.035 20 5 EEBDRP COc1cccc(CC2([NH3+])CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998232 803564064 /nfs/dbraw/zinc/56/40/64/803564064.db2.gz KEHDXVNTFUVWFT-IAGOWNOFSA-N 2 0 347.459 2.476 20 5 EEBDRP COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170341378 809915494 /nfs/dbraw/zinc/91/54/94/809915494.db2.gz PXDMSZDRFZNMNN-BMFZPTHFSA-N 2 0 333.432 2.418 20 5 EEBDRP