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+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000176286152 207211154 /nfs/dbraw/zinc/21/11/54/207211154.db2.gz KODNZWASTWBWFR-KRWDZBQOSA-N 1 3 343.431 2.245 20 5 EEBDHO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000176286152 207211160 /nfs/dbraw/zinc/21/11/60/207211160.db2.gz KODNZWASTWBWFR-KRWDZBQOSA-N 1 3 343.431 2.245 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342098316 161039276 /nfs/dbraw/zinc/03/92/76/161039276.db2.gz IFJVEFUKVLMYNH-IMJJTQAJSA-N 1 3 346.431 2.291 20 5 EEBDHO CCN1CCN([C@@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873012091 1198473853 /nfs/dbraw/zinc/47/38/53/1198473853.db2.gz MOGLECFLMBXQGD-HNNXBMFYSA-N 1 3 334.464 2.327 20 5 EEBDHO N=C(NCCCC[NH3+])Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001157102523 1318404385 /nfs/dbraw/zinc/40/43/85/1318404385.db2.gz ZOHBAMLIRNASDU-UHFFFAOYSA-N 1 3 336.783 2.472 20 5 EEBDHO N[C@@H]1CC[N@@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270587 1319130725 /nfs/dbraw/zinc/13/07/25/1319130725.db2.gz VYKXWWQMNWASCT-CQSZACIVSA-N 1 3 341.415 2.145 20 5 EEBDHO N[C@@H]1CC[N@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270587 1319130732 /nfs/dbraw/zinc/13/07/32/1319130732.db2.gz VYKXWWQMNWASCT-CQSZACIVSA-N 1 3 341.415 2.145 20 5 EEBDHO CCOC(=O)C1([C@H](C)NCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000422947891 240303751 /nfs/dbraw/zinc/30/37/51/240303751.db2.gz QSACJGXSVBAAQH-ZDUSSCGKSA-N 1 3 335.404 2.006 20 5 EEBDHO O=[N+]([O-])c1cnn(CCN2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121638522 292266605 /nfs/dbraw/zinc/26/66/05/292266605.db2.gz PGXXPUGSRWDQGT-UHFFFAOYSA-N 1 3 335.452 2.379 20 5 EEBDHO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000374919023 167068621 /nfs/dbraw/zinc/06/86/21/167068621.db2.gz SXMNALPUTWNBLK-DOTOQJQBSA-N 1 3 343.431 2.292 20 5 EEBDHO C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374919023 167068624 /nfs/dbraw/zinc/06/86/24/167068624.db2.gz SXMNALPUTWNBLK-DOTOQJQBSA-N 1 3 343.431 2.292 20 5 EEBDHO C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374919023 167068626 /nfs/dbraw/zinc/06/86/26/167068626.db2.gz SXMNALPUTWNBLK-DOTOQJQBSA-N 1 3 343.431 2.292 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414904026 313110946 /nfs/dbraw/zinc/11/09/46/313110946.db2.gz JLORPAWHQAVAFO-CXAGYDPISA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414904026 313110950 /nfs/dbraw/zinc/11/09/50/313110950.db2.gz JLORPAWHQAVAFO-CXAGYDPISA-N 1 3 334.420 2.291 20 5 EEBDHO Cn1cc(CN[C@H]2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414936894 313112452 /nfs/dbraw/zinc/11/24/52/313112452.db2.gz ZNILCBLSWDOAQM-GJZGRUSLSA-N 1 3 329.404 2.355 20 5 EEBDHO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367026825 466080078 /nfs/dbraw/zinc/08/00/78/466080078.db2.gz DDCPDWHIKUAGFS-QFBILLFUSA-N 1 3 346.475 2.095 20 5 EEBDHO [NH3+]C[C@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430648871 467455130 /nfs/dbraw/zinc/45/51/30/467455130.db2.gz RHOPHCHWENSWEQ-CYBMUJFWSA-N 1 3 330.388 2.463 20 5 EEBDHO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CN ZINC000843351112 1315897035 /nfs/dbraw/zinc/89/70/35/1315897035.db2.gz GYPQEBUZLLRMCQ-XHDPSFHLSA-N 1 3 338.383 2.122 20 5 EEBDHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CN ZINC000843351112 1315897039 /nfs/dbraw/zinc/89/70/39/1315897039.db2.gz GYPQEBUZLLRMCQ-XHDPSFHLSA-N 1 3 338.383 2.122 20 5 EEBDHO C[C@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843353057 1315897337 /nfs/dbraw/zinc/89/73/37/1315897337.db2.gz AMOVQDRLJPNBTM-RYUDHWBXSA-N 1 3 338.383 2.122 20 5 EEBDHO O=C(CCCC[NH+]1CCCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001153308708 1316808349 /nfs/dbraw/zinc/80/83/49/1316808349.db2.gz CRYSEGHELRFUPA-UHFFFAOYSA-N 1 3 348.447 2.067 20 5 EEBDHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001203925892 1321991340 /nfs/dbraw/zinc/99/13/40/1321991340.db2.gz YDVXTYOUWBZNRX-UHFFFAOYSA-N 1 3 348.447 2.016 20 5 EEBDHO CN(C)CC[NH+](CCN(C)C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914806 797148244 /nfs/dbraw/zinc/14/82/44/797148244.db2.gz JDGKXQWVWAQTBM-SFHVURJKSA-N 1 3 348.491 2.267 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128063059 292335487 /nfs/dbraw/zinc/33/54/87/292335487.db2.gz LCUQYVNHHFWHPM-GJZGRUSLSA-N 1 3 348.447 2.141 20 5 EEBDHO Cc1cc(NC2CCN(C3CC[NH+](C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000266799209 464826476 /nfs/dbraw/zinc/82/64/76/464826476.db2.gz BOYKWWASAQLYRC-UHFFFAOYSA-N 1 3 333.436 2.269 20 5 EEBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CC[N@H+](C)C1 ZINC000358225331 466555109 /nfs/dbraw/zinc/55/51/09/466555109.db2.gz COMZCRLGKZVSHM-XJKSGUPXSA-N 1 3 339.461 2.122 20 5 EEBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358225331 466555114 /nfs/dbraw/zinc/55/51/14/466555114.db2.gz COMZCRLGKZVSHM-XJKSGUPXSA-N 1 3 339.461 2.122 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000435620335 467482267 /nfs/dbraw/zinc/48/22/67/467482267.db2.gz BEAAQKMHSMSHRT-AWEZNQCLSA-N 1 3 334.420 2.306 20 5 EEBDHO CC[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592489130 468709639 /nfs/dbraw/zinc/70/96/39/468709639.db2.gz RENPHSVPLQATTM-UONOGXRCSA-N 1 3 334.420 2.291 20 5 EEBDHO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001168992540 803559942 /nfs/dbraw/zinc/55/99/42/803559942.db2.gz KNLASRZRSJVKBW-ROUUACIJSA-N 1 3 332.448 2.329 20 5 EEBDHO COc1ccccc1CC1([NH3+])CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000667 803565875 /nfs/dbraw/zinc/56/58/75/803565875.db2.gz YOVPUASEIJSEPY-WBVHZDCISA-N 1 3 347.459 2.476 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000414799210 313092605 /nfs/dbraw/zinc/09/26/05/313092605.db2.gz JXEDUXGOPXKPBV-DVOMOZLQSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414799210 313092607 /nfs/dbraw/zinc/09/26/07/313092607.db2.gz JXEDUXGOPXKPBV-DVOMOZLQSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000578231794 320302783 /nfs/dbraw/zinc/30/27/83/320302783.db2.gz KRYDHYIKQCCHHB-AWEZNQCLSA-N 1 3 334.420 2.245 20 5 EEBDHO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000578231794 320302785 /nfs/dbraw/zinc/30/27/85/320302785.db2.gz KRYDHYIKQCCHHB-AWEZNQCLSA-N 1 3 334.420 2.245 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1=CCN(C)CC1 ZINC000271905046 464408277 /nfs/dbraw/zinc/40/82/77/464408277.db2.gz WJVRNOYFBNZDBR-ZDUSSCGKSA-N 1 3 332.404 2.163 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218378 466698733 /nfs/dbraw/zinc/69/87/33/466698733.db2.gz RXHNJNZNUSFSMK-MGPQQGTHSA-N 1 3 334.420 2.290 20 5 EEBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCCO1 ZINC000423495788 466758409 /nfs/dbraw/zinc/75/84/09/466758409.db2.gz VLZVEGHVFOOYFX-KGLIPLIRSA-N 1 3 339.461 2.434 20 5 EEBDHO [NH3+]C[C@@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420381104 467386591 /nfs/dbraw/zinc/38/65/91/467386591.db2.gz YVBBIGBIAYHWOW-MRXNPFEDSA-N 1 3 334.420 2.421 20 5 EEBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420385257 467389532 /nfs/dbraw/zinc/38/95/32/467389532.db2.gz SQFTXYAIUODQSZ-QZTJIDSGSA-N 1 3 333.432 2.356 20 5 EEBDHO CC(C)[C@](C)(C[NH3+])NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843356423 1315899535 /nfs/dbraw/zinc/89/95/35/1315899535.db2.gz OEZHHXNOSAVUKL-HNNXBMFYSA-N 1 3 326.372 2.026 20 5 EEBDHO CC[NH2+]CC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000430595140 314555533 /nfs/dbraw/zinc/55/55/33/314555533.db2.gz HEOCWHYEHMTFRB-UHFFFAOYSA-N 1 3 337.420 2.304 20 5 EEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000447530340 467587848 /nfs/dbraw/zinc/58/78/48/467587848.db2.gz MIHZBBDMESQZPF-FXUDXRNXSA-N 1 3 333.436 2.491 20 5 EEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000447530340 467587849 /nfs/dbraw/zinc/58/78/49/467587849.db2.gz MIHZBBDMESQZPF-FXUDXRNXSA-N 1 3 333.436 2.491 20 5 EEBDHO CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592489560 468710597 /nfs/dbraw/zinc/71/05/97/468710597.db2.gz YSWBPXFAGCUPAD-UKRRQHHQSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733338 469114560 /nfs/dbraw/zinc/11/45/60/469114560.db2.gz LQGJUYXQANKWHL-CZUORRHYSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CCN ZINC000593733338 469114564 /nfs/dbraw/zinc/11/45/64/469114564.db2.gz LQGJUYXQANKWHL-CZUORRHYSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CCN ZINC000593733338 469114569 /nfs/dbraw/zinc/11/45/69/469114569.db2.gz LQGJUYXQANKWHL-CZUORRHYSA-N 1 3 334.420 2.373 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342100384 161039397 /nfs/dbraw/zinc/03/93/97/161039397.db2.gz KCOKEZBLBOYXOH-NUEKZKHPSA-N 1 3 346.431 2.291 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856211 313103529 /nfs/dbraw/zinc/10/35/29/313103529.db2.gz OBPGLXYQISRQBF-HZSPNIEDSA-N 1 3 334.420 2.290 20 5 EEBDHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420385259 467389855 /nfs/dbraw/zinc/38/98/55/467389855.db2.gz SQFTXYAIUODQSZ-ROUUACIJSA-N 1 3 333.432 2.356 20 5 EEBDHO CC[C@@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591742863 468512789 /nfs/dbraw/zinc/51/27/89/468512789.db2.gz NHSQFYBNMYAJAT-AWEZNQCLSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[C@@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000128134211 462612038 /nfs/dbraw/zinc/61/20/38/462612038.db2.gz QRNYEUDOSSOSOD-DOTOQJQBSA-N 1 3 348.447 2.223 20 5 EEBDHO Cc1c(NC(=O)CCN2CC[C@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420422305 467403225 /nfs/dbraw/zinc/40/32/25/467403225.db2.gz ZFSRUIKAZMRJJY-GXTWGEPZSA-N 1 3 334.420 2.149 20 5 EEBDHO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001168997334 803563385 /nfs/dbraw/zinc/56/33/85/803563385.db2.gz YTAAAUYILXFZKY-FUHWJXTLSA-N 1 3 332.448 2.329 20 5 EEBDHO Cc1cc(NC[C@@H](C)N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083848 463317738 /nfs/dbraw/zinc/31/77/38/463317738.db2.gz WYWXLKCEEVFBMP-CQSZACIVSA-N 1 3 343.431 2.499 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420393722 467393112 /nfs/dbraw/zinc/39/31/12/467393112.db2.gz QTZDAONVGVRAPA-QAPCUYQASA-N 1 3 349.431 2.192 20 5 EEBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000415033265 467471761 /nfs/dbraw/zinc/47/17/61/467471761.db2.gz GUWOALXRIWKCMH-XIRDDKMYSA-N 1 3 333.432 2.274 20 5 EEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000449191566 467622640 /nfs/dbraw/zinc/62/26/40/467622640.db2.gz PKKIMMZNFARVTM-MDASCCDHSA-N 1 3 347.459 2.493 20 5 EEBDHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873042761 1198482541 /nfs/dbraw/zinc/48/25/41/1198482541.db2.gz IWAQPXAKJYUZSK-HNNXBMFYSA-N 1 3 334.464 2.266 20 5 EEBDHO CC[NH+](CC)CCNC(=N)Nc1ncc([N+](=O)[O-])c2ccccc21 ZINC001163126353 1321043680 /nfs/dbraw/zinc/04/36/80/1321043680.db2.gz RCANIYMJTRIYIW-UHFFFAOYSA-N 1 3 330.392 2.421 20 5 EEBDHO Cc1c([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000346115433 312271898 /nfs/dbraw/zinc/27/18/98/312271898.db2.gz XEVJBKMAVLLYHI-LSDHHAIUSA-N 1 3 348.447 2.141 20 5 EEBDHO Cn1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414936903 313112770 /nfs/dbraw/zinc/11/27/70/313112770.db2.gz ZNILCBLSWDOAQM-LSDHHAIUSA-N 1 3 329.404 2.355 20 5 EEBDHO CC[C@H]([NH2+]CCCN1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000128134006 462612515 /nfs/dbraw/zinc/61/25/15/462612515.db2.gz QRNYEUDOSSOSOD-RDJZCZTQSA-N 1 3 348.447 2.223 20 5 EEBDHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269994754 464152384 /nfs/dbraw/zinc/15/23/84/464152384.db2.gz HICKTQCSYTUHNN-NVXWUHKLSA-N 1 3 347.459 2.352 20 5 EEBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001168992973 803560814 /nfs/dbraw/zinc/56/08/14/803560814.db2.gz LXBOWUBDUSXMRV-SJORKVTESA-N 1 3 332.448 2.329 20 5 EEBDHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000447593700 242293069 /nfs/dbraw/zinc/29/30/69/242293069.db2.gz UMSDQPJAIRBBQY-NVXWUHKLSA-N 1 3 335.448 2.474 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000114199495 462632363 /nfs/dbraw/zinc/63/23/63/462632363.db2.gz SLMRBKZQEWRKPP-CQSZACIVSA-N 1 3 334.420 2.115 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000114199495 462632367 /nfs/dbraw/zinc/63/23/67/462632367.db2.gz SLMRBKZQEWRKPP-CQSZACIVSA-N 1 3 334.420 2.115 20 5 EEBDHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001203004614 1314813759 /nfs/dbraw/zinc/81/37/59/1314813759.db2.gz DHKCOUSXOZHHQW-UHFFFAOYSA-N 1 3 348.447 2.017 20 5 EEBDHO CN(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000843353996 1315898278 /nfs/dbraw/zinc/89/82/78/1315898278.db2.gz PRBPJUNIUGERIY-UHFFFAOYSA-N 1 3 340.811 2.388 20 5 EEBDHO CCN1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236822479 242371175 /nfs/dbraw/zinc/37/11/75/242371175.db2.gz NVHGZNMDXWEVER-AWEZNQCLSA-N 1 3 343.431 2.427 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218379 279247185 /nfs/dbraw/zinc/24/71/85/279247185.db2.gz RXHNJNZNUSFSMK-RDBSUJKOSA-N 1 3 334.420 2.290 20 5 EEBDHO CC[C@H](C[NH+]1CCCC1)NCCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591742864 468512937 /nfs/dbraw/zinc/51/29/37/468512937.db2.gz NHSQFYBNMYAJAT-CQSZACIVSA-N 1 3 334.420 2.387 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602808942 469089218 /nfs/dbraw/zinc/08/92/18/469089218.db2.gz FYRTWWZJZLSRMB-DZGCQCFKSA-N 1 3 335.452 2.342 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000602808942 469089226 /nfs/dbraw/zinc/08/92/26/469089226.db2.gz FYRTWWZJZLSRMB-DZGCQCFKSA-N 1 3 335.452 2.342 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000602808942 469089234 /nfs/dbraw/zinc/08/92/34/469089234.db2.gz FYRTWWZJZLSRMB-DZGCQCFKSA-N 1 3 335.452 2.342 20 5 EEBDHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422633830 240166700 /nfs/dbraw/zinc/16/67/00/240166700.db2.gz ISKUZUNBXZEYCB-MGPQQGTHSA-N 1 3 334.420 2.229 20 5 EEBDHO C[C@H]1C[C@@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000090539563 462796024 /nfs/dbraw/zinc/79/60/24/462796024.db2.gz JOSUARYZCCUGIG-RDJZCZTQSA-N 1 3 343.431 2.434 20 5 EEBDHO C[C@H]1C[C@@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000090539563 462796028 /nfs/dbraw/zinc/79/60/28/462796028.db2.gz JOSUARYZCCUGIG-RDJZCZTQSA-N 1 3 343.431 2.434 20 5 EEBDHO CCOc1ccc([N+](=O)[O-])cc1CNCC1(COC)CC[NH2+]CC1 ZINC000414983637 467460580 /nfs/dbraw/zinc/46/05/80/467460580.db2.gz ZIZBGJAJGHYNLT-UHFFFAOYSA-N 1 3 337.420 2.099 20 5 EEBDHO O=[N+]([O-])c1ccc([C@@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878747165 1200652247 /nfs/dbraw/zinc/65/22/47/1200652247.db2.gz JUTSJWNGNPOJKJ-SFHVURJKSA-N 1 3 342.399 2.236 20 5 EEBDHO COc1cc(N2CCC(N3CCC[C@H]([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001246539918 1310335699 /nfs/dbraw/zinc/33/56/99/1310335699.db2.gz DPMGZIVEFUJZAF-AWEZNQCLSA-N 1 3 348.447 2.385 20 5 EEBDHO [NH3+][C@H]1CC[C@H](N(C2COC2)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587108 1318134877 /nfs/dbraw/zinc/13/48/77/1318134877.db2.gz VNAWAYSWTHPQMW-ZOBUZTSGSA-N 1 3 331.416 2.033 20 5 EEBDHO Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000342103374 161039602 /nfs/dbraw/zinc/03/96/02/161039602.db2.gz MSXQSEZBRGCSEL-SOUVJXGZSA-N 1 3 346.431 2.291 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1=CCN(C)CC1 ZINC000344313741 161216600 /nfs/dbraw/zinc/21/66/00/161216600.db2.gz ZOURRWBTFAPKDE-CYBMUJFWSA-N 1 3 332.404 2.163 20 5 EEBDHO O=[N+]([O-])c1ccc(-c2ccc(CNCCCN3CC[NH2+]CC3)o2)cc1 ZINC000414786727 313088645 /nfs/dbraw/zinc/08/86/45/313088645.db2.gz XTYFNOKRMYBNHP-UHFFFAOYSA-N 1 3 344.415 2.240 20 5 EEBDHO O=[N+]([O-])c1cccc(-c2ccc(CNCCCN3CC[NH2+]CC3)o2)c1 ZINC000414786200 313088897 /nfs/dbraw/zinc/08/88/97/313088897.db2.gz XBHGRJNPVKIJCH-UHFFFAOYSA-N 1 3 344.415 2.240 20 5 EEBDHO C[C@@H]([NH3+])[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000351865475 465406022 /nfs/dbraw/zinc/40/60/22/465406022.db2.gz NLCOYJUXRQWREX-OCCSQVGLSA-N 1 3 330.388 2.461 20 5 EEBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420388152 467390259 /nfs/dbraw/zinc/39/02/59/467390259.db2.gz WWWDVEHQVBSLDZ-QZTJIDSGSA-N 1 3 349.431 2.192 20 5 EEBDHO Cc1c(NC(=O)CCN(C)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000435621116 467481869 /nfs/dbraw/zinc/48/18/69/467481869.db2.gz IWQCTOZFKNBCEK-AWEZNQCLSA-N 1 3 334.420 2.306 20 5 EEBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@H]2CCC[NH2+]C2)c1F ZINC001246196990 1310258298 /nfs/dbraw/zinc/25/82/98/1310258298.db2.gz JEVNTCXHLZDBIB-RYUDHWBXSA-N 1 3 325.384 2.263 20 5 EEBDHO CCOC(=O)C1([C@@H](C)NCc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000423072515 240351903 /nfs/dbraw/zinc/35/19/03/240351903.db2.gz JNCWXNKWQNZGJV-CQSZACIVSA-N 1 3 349.431 2.314 20 5 EEBDHO COc1ccc(CN2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593316066 468936440 /nfs/dbraw/zinc/93/64/40/468936440.db2.gz QDRKHXIFKZCBJJ-DAYGRLMNSA-N 1 3 349.431 2.322 20 5 EEBDHO CN1CCCC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602722849 469032884 /nfs/dbraw/zinc/03/28/84/469032884.db2.gz IFWCMYWPWZTLBV-OAHLLOKOSA-N 1 3 347.463 2.280 20 5 EEBDHO CCCN1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602524261 469348711 /nfs/dbraw/zinc/34/87/11/469348711.db2.gz CZIAGGMWQDQSHQ-HNNXBMFYSA-N 1 3 347.463 2.280 20 5 EEBDHO CC1(C)C[NH2+]CC[C@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475972 1315712831 /nfs/dbraw/zinc/71/28/31/1315712831.db2.gz ZSMIUQUIALGOAF-CQSZACIVSA-N 1 3 338.383 2.040 20 5 EEBDHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001203924547 1321991088 /nfs/dbraw/zinc/99/10/88/1321991088.db2.gz CEYRPYTZXWJFQV-UHFFFAOYSA-N 1 3 348.447 2.016 20 5 EEBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000415033263 285161513 /nfs/dbraw/zinc/16/15/13/285161513.db2.gz GUWOALXRIWKCMH-USXIJHARSA-N 1 3 333.432 2.274 20 5 EEBDHO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000577743548 320273448 /nfs/dbraw/zinc/27/34/48/320273448.db2.gz SRIIXBFJHLQYHM-ZDUSSCGKSA-N 1 3 332.404 2.163 20 5 EEBDHO Cc1c(NC(=O)CCN[C@@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000420368173 467381569 /nfs/dbraw/zinc/38/15/69/467381569.db2.gz UEEMJBQCWAOTGG-OAHLLOKOSA-N 1 3 334.420 2.210 20 5 EEBDHO Cc1c(NC(=O)CC[NH2+][C@@H]2CCNCC2(C)C)cccc1[N+](=O)[O-] ZINC000420368173 467381571 /nfs/dbraw/zinc/38/15/71/467381571.db2.gz UEEMJBQCWAOTGG-OAHLLOKOSA-N 1 3 334.420 2.210 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532240654 468105239 /nfs/dbraw/zinc/10/52/39/468105239.db2.gz VEOLJJYAJDOANE-KGLIPLIRSA-N 1 3 334.420 2.243 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532240654 468105242 /nfs/dbraw/zinc/10/52/42/468105242.db2.gz VEOLJJYAJDOANE-KGLIPLIRSA-N 1 3 334.420 2.243 20 5 EEBDHO CN(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877074076 1199858545 /nfs/dbraw/zinc/85/85/45/1199858545.db2.gz ZAUIKVMQFVTYTQ-CVEARBPZSA-N 1 3 347.463 2.421 20 5 EEBDHO CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CCC([NH3+])CC1 ZINC000843354540 1315899009 /nfs/dbraw/zinc/89/90/09/1315899009.db2.gz AZPBYKHTSFOJLD-UHFFFAOYSA-N 1 3 340.811 2.388 20 5 EEBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001168997336 803563355 /nfs/dbraw/zinc/56/33/55/803563355.db2.gz YTAAAUYILXFZKY-SJLPKXTDSA-N 1 3 332.448 2.329 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1=CCN(C)CC1 ZINC000344313742 161216668 /nfs/dbraw/zinc/21/66/68/161216668.db2.gz ZOURRWBTFAPKDE-ZDUSSCGKSA-N 1 3 332.404 2.163 20 5 EEBDHO C[N@@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000339440250 465275476 /nfs/dbraw/zinc/27/54/76/465275476.db2.gz PGGZFCZSEUWJKI-SFHVURJKSA-N 1 3 346.431 2.341 20 5 EEBDHO C[N@H+]1CCC[C@]2(CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000339440250 465275480 /nfs/dbraw/zinc/27/54/80/465275480.db2.gz PGGZFCZSEUWJKI-SFHVURJKSA-N 1 3 346.431 2.341 20 5 EEBDHO C[C@@H]1C[C@@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000090539561 462796471 /nfs/dbraw/zinc/79/64/71/462796471.db2.gz JOSUARYZCCUGIG-WBVHZDCISA-N 1 3 343.431 2.434 20 5 EEBDHO C[C@@H]1C[C@@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000090539561 462796473 /nfs/dbraw/zinc/79/64/73/462796473.db2.gz JOSUARYZCCUGIG-WBVHZDCISA-N 1 3 343.431 2.434 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1CN ZINC000423271295 466707420 /nfs/dbraw/zinc/70/74/20/466707420.db2.gz IVEXMJUTCRBWBL-DVOMOZLQSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000423271295 466707421 /nfs/dbraw/zinc/70/74/21/466707421.db2.gz IVEXMJUTCRBWBL-DVOMOZLQSA-N 1 3 334.420 2.419 20 5 EEBDHO COc1ccc(CN2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593316067 468936669 /nfs/dbraw/zinc/93/66/69/468936669.db2.gz QDRKHXIFKZCBJJ-HDMKZQKVSA-N 1 3 349.431 2.322 20 5 EEBDHO C[NH+](C)C1(CC(=O)NCCNCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC001131834874 783333538 /nfs/dbraw/zinc/33/35/38/783333538.db2.gz IPQACNPLVBFBLW-UHFFFAOYSA-N 1 3 348.447 2.065 20 5 EEBDHO C[N@@H+]1CCC[C@H](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590971380 468388002 /nfs/dbraw/zinc/38/80/02/468388002.db2.gz JKKVYIBSSLFXBT-CYBMUJFWSA-N 1 3 335.404 2.188 20 5 EEBDHO C[N@H+]1CCC[C@H](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590971380 468388008 /nfs/dbraw/zinc/38/80/08/468388008.db2.gz JKKVYIBSSLFXBT-CYBMUJFWSA-N 1 3 335.404 2.188 20 5 EEBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000349038027 465932405 /nfs/dbraw/zinc/93/24/05/465932405.db2.gz URJNDYGZEKBOTM-KRWDZBQOSA-N 1 3 334.464 2.443 20 5 EEBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000349038027 465932409 /nfs/dbraw/zinc/93/24/09/465932409.db2.gz URJNDYGZEKBOTM-KRWDZBQOSA-N 1 3 334.464 2.443 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602808944 469089966 /nfs/dbraw/zinc/08/99/66/469089966.db2.gz FYRTWWZJZLSRMB-HIFRSBDPSA-N 1 3 335.452 2.342 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000602808944 469089971 /nfs/dbraw/zinc/08/99/71/469089971.db2.gz FYRTWWZJZLSRMB-HIFRSBDPSA-N 1 3 335.452 2.342 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000602808944 469089979 /nfs/dbraw/zinc/08/99/79/469089979.db2.gz FYRTWWZJZLSRMB-HIFRSBDPSA-N 1 3 335.452 2.342 20 5 EEBDHO N[C@@H](C(=O)Nc1cc2cccnc2c2ncccc12)C1CC[NH2+]CC1 ZINC001218980136 1297891813 /nfs/dbraw/zinc/89/18/13/1297891813.db2.gz UKIMSAKDVMVYJO-MRXNPFEDSA-N 1 3 335.411 2.048 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCN(CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1 ZINC000923305256 789346283 /nfs/dbraw/zinc/34/62/83/789346283.db2.gz WHTCEFMQURLWFF-MQVJKMGUSA-N 1 3 345.447 2.033 20 5 EEBDHO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000374919024 167068790 /nfs/dbraw/zinc/06/87/90/167068790.db2.gz SXMNALPUTWNBLK-NVXWUHKLSA-N 1 3 343.431 2.292 20 5 EEBDHO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374919024 167068791 /nfs/dbraw/zinc/06/87/91/167068791.db2.gz SXMNALPUTWNBLK-NVXWUHKLSA-N 1 3 343.431 2.292 20 5 EEBDHO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374919024 167068794 /nfs/dbraw/zinc/06/87/94/167068794.db2.gz SXMNALPUTWNBLK-NVXWUHKLSA-N 1 3 343.431 2.292 20 5 EEBDHO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697936 313065348 /nfs/dbraw/zinc/06/53/48/313065348.db2.gz WYKNMJOASUPCFA-INIZCTEOSA-N 1 3 348.447 2.003 20 5 EEBDHO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCN(C(=O)CN)C1 ZINC000414697936 313065350 /nfs/dbraw/zinc/06/53/50/313065350.db2.gz WYKNMJOASUPCFA-INIZCTEOSA-N 1 3 348.447 2.003 20 5 EEBDHO Cc1cc(NC[C@@H]2CN(C)CCN2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326123503 465034524 /nfs/dbraw/zinc/03/45/24/465034524.db2.gz GIFAOLAWMWJOPQ-CQSZACIVSA-N 1 3 329.404 2.109 20 5 EEBDHO CN(C)CCN1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594495435 468609603 /nfs/dbraw/zinc/60/96/03/468609603.db2.gz XQDMVTFWXBYRQQ-KRWDZBQOSA-N 1 3 332.448 2.198 20 5 EEBDHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001203005212 1314815719 /nfs/dbraw/zinc/81/57/19/1314815719.db2.gz NOGABCILFUGGHM-UHFFFAOYSA-N 1 3 348.447 2.017 20 5 EEBDHO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](CC[NH3+])C1 ZINC001576317756 1343997603 /nfs/dbraw/zinc/99/76/03/1343997603.db2.gz ZLIAGRVKGRLLDA-RYUDHWBXSA-N 1 3 331.376 2.377 20 5 EEBDHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422632969 240166902 /nfs/dbraw/zinc/16/69/02/240166902.db2.gz HMPXUCAXSLCKKI-MCIONIFRSA-N 1 3 334.420 2.229 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414904029 313111161 /nfs/dbraw/zinc/11/11/61/313111161.db2.gz JLORPAWHQAVAFO-GUYCJALGSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414904029 313111164 /nfs/dbraw/zinc/11/11/64/313111164.db2.gz JLORPAWHQAVAFO-GUYCJALGSA-N 1 3 334.420 2.291 20 5 EEBDHO CC(C)C[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591752158 468514542 /nfs/dbraw/zinc/51/45/42/468514542.db2.gz YWKBJZPZTJWMSJ-OAHLLOKOSA-N 1 3 348.447 2.491 20 5 EEBDHO CC(C)C[N@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591752158 468514544 /nfs/dbraw/zinc/51/45/44/468514544.db2.gz YWKBJZPZTJWMSJ-OAHLLOKOSA-N 1 3 348.447 2.491 20 5 EEBDHO C[C@H]1C[NH+](CCOc2ccc(CCNCC[N+](=O)[O-])cc2)C[C@@H]1C ZINC000905204228 694568208 /nfs/dbraw/zinc/56/82/08/694568208.db2.gz ZAFOWJPUTNTMPB-HOTGVXAUSA-N 1 3 335.448 2.062 20 5 EEBDHO C[NH+](C)C1(CC(=O)NCCNCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC001131834729 783334052 /nfs/dbraw/zinc/33/40/52/783334052.db2.gz GEQBQJPGHOGXQP-UHFFFAOYSA-N 1 3 348.447 2.065 20 5 EEBDHO COc1cc(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000414787170 313089094 /nfs/dbraw/zinc/08/90/94/313089094.db2.gz VEGYVFNINUGTMP-KGLIPLIRSA-N 1 3 349.431 2.434 20 5 EEBDHO CN1CCC(O)(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417317337 313483048 /nfs/dbraw/zinc/48/30/48/313483048.db2.gz WIUCWNPXFYSJGK-KRWDZBQOSA-N 1 3 333.432 2.409 20 5 EEBDHO CN1CCN(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000441363798 315183275 /nfs/dbraw/zinc/18/32/75/315183275.db2.gz XLVHKFSCZDHVNM-VURMDHGXSA-N 1 3 332.448 2.224 20 5 EEBDHO Cc1c(NC(=O)CC[N@H+]2CC[C@H](CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000114198733 462632340 /nfs/dbraw/zinc/63/23/40/462632340.db2.gz ZQCOPPYRWZNTCE-CQSZACIVSA-N 1 3 334.420 2.115 20 5 EEBDHO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000114198733 462632343 /nfs/dbraw/zinc/63/23/43/462632343.db2.gz ZQCOPPYRWZNTCE-CQSZACIVSA-N 1 3 334.420 2.115 20 5 EEBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000877746889 1200070241 /nfs/dbraw/zinc/07/02/41/1200070241.db2.gz LQUFZPFGRFWPJJ-UHFFFAOYSA-N 1 3 346.475 2.423 20 5 EEBDHO COc1ccc(CC2([NH3+])CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997052 803562728 /nfs/dbraw/zinc/56/27/28/803562728.db2.gz BGVFFIJTDVRCGG-IAGOWNOFSA-N 1 3 347.459 2.476 20 5 EEBDHO CN1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577745742 320273592 /nfs/dbraw/zinc/27/35/92/320273592.db2.gz SYHSHGVJQUCSGZ-KRWDZBQOSA-N 1 3 332.448 2.199 20 5 EEBDHO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000592437212 468697858 /nfs/dbraw/zinc/69/78/58/468697858.db2.gz CYFOTDULMSGWSB-KBPBESRZSA-N 1 3 347.415 2.188 20 5 EEBDHO Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000342103371 161039788 /nfs/dbraw/zinc/03/97/88/161039788.db2.gz MSXQSEZBRGCSEL-RRFJBIMHSA-N 1 3 346.431 2.291 20 5 EEBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420385255 313947348 /nfs/dbraw/zinc/94/73/48/313947348.db2.gz SQFTXYAIUODQSZ-MSOLQXFVSA-N 1 3 333.432 2.356 20 5 EEBDHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269994759 464151829 /nfs/dbraw/zinc/15/18/29/464151829.db2.gz HICKTQCSYTUHNN-WBVHZDCISA-N 1 3 347.459 2.352 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430551040 467438267 /nfs/dbraw/zinc/43/82/67/467438267.db2.gz PNNYZNDYDRUQJL-KBPBESRZSA-N 1 3 334.420 2.291 20 5 EEBDHO COc1cc(CN[C@@H]2C[C@H]2C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000415014383 467468448 /nfs/dbraw/zinc/46/84/48/467468448.db2.gz WZLVKTLOHNPMHF-UONOGXRCSA-N 1 3 335.404 2.090 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@H]1CCC[NH2+]CC1 ZINC000435612854 467480672 /nfs/dbraw/zinc/48/06/72/467480672.db2.gz ZOXFRUZMNYAOPA-AWEZNQCLSA-N 1 3 334.420 2.306 20 5 EEBDHO O=C(CCNCCC[NH+]1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548826149 468143802 /nfs/dbraw/zinc/14/38/02/468143802.db2.gz ZTNPOQRSCXYQTP-UHFFFAOYSA-N 1 3 334.420 2.389 20 5 EEBDHO O=C(CC[NH2+]CCCN1CCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000548826149 468143809 /nfs/dbraw/zinc/14/38/09/468143809.db2.gz ZTNPOQRSCXYQTP-UHFFFAOYSA-N 1 3 334.420 2.389 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000602516135 469346205 /nfs/dbraw/zinc/34/62/05/469346205.db2.gz IHQLSYIMUIXTDT-CVEARBPZSA-N 1 3 345.447 2.175 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000602516135 469346210 /nfs/dbraw/zinc/34/62/10/469346210.db2.gz IHQLSYIMUIXTDT-CVEARBPZSA-N 1 3 345.447 2.175 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cn1 ZINC000602516135 469346214 /nfs/dbraw/zinc/34/62/14/469346214.db2.gz IHQLSYIMUIXTDT-CVEARBPZSA-N 1 3 345.447 2.175 20 5 EEBDHO C[C@@H]([NH3+])[C@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843353055 1315897696 /nfs/dbraw/zinc/89/76/96/1315897696.db2.gz AMOVQDRLJPNBTM-NEPJUHHUSA-N 1 3 338.383 2.122 20 5 EEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254545353 1318116830 /nfs/dbraw/zinc/11/68/30/1318116830.db2.gz MEKUZYBPAWDSCZ-FVQBIDKESA-N 1 3 333.432 2.497 20 5 EEBDHO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001254587989 1318134340 /nfs/dbraw/zinc/13/43/40/1318134340.db2.gz UIESHSVVXWHWMS-KZNAEPCWSA-N 1 3 345.443 2.295 20 5 EEBDHO C[NH+]1CCC(O)(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000077450094 462985489 /nfs/dbraw/zinc/98/54/89/462985489.db2.gz MLBMEOMHYDRASK-UHFFFAOYSA-N 1 3 345.399 2.401 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430571220 467442279 /nfs/dbraw/zinc/44/22/79/467442279.db2.gz HRFVABZFLOYBGS-UONOGXRCSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@@H]1CCCN(CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595905183 469075855 /nfs/dbraw/zinc/07/58/55/469075855.db2.gz QCHAVRPZMYXIFE-RHSMWYFYSA-N 1 3 348.447 2.397 20 5 EEBDHO Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000342103377 161039504 /nfs/dbraw/zinc/03/95/04/161039504.db2.gz MSXQSEZBRGCSEL-ZNMIVQPWSA-N 1 3 346.431 2.291 20 5 EEBDHO Cc1c(NC(=O)CCN2CCCC[C@@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000352477405 162149833 /nfs/dbraw/zinc/14/98/33/162149833.db2.gz LCJSGZWDXOQGSY-CQSZACIVSA-N 1 3 334.420 2.435 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000352504778 162162933 /nfs/dbraw/zinc/16/29/33/162162933.db2.gz USLLNOQRBSZXSG-CQSZACIVSA-N 1 3 334.420 2.435 20 5 EEBDHO CN(CCCN(C)Cc1ccc([N+](=O)[O-])c(F)c1)CC[NH+](C)C ZINC000288787465 275085505 /nfs/dbraw/zinc/08/55/05/275085505.db2.gz CDJFKYDPYZHOEF-UHFFFAOYSA-N 1 3 326.416 2.049 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1=CCN(C)CC1 ZINC000271905044 464408411 /nfs/dbraw/zinc/40/84/11/464408411.db2.gz WJVRNOYFBNZDBR-CYBMUJFWSA-N 1 3 332.404 2.163 20 5 EEBDHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372989762 466655487 /nfs/dbraw/zinc/65/54/87/466655487.db2.gz KQQITWILMKMVFJ-HNNXBMFYSA-N 1 3 334.420 2.340 20 5 EEBDHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372989762 466655491 /nfs/dbraw/zinc/65/54/91/466655491.db2.gz KQQITWILMKMVFJ-HNNXBMFYSA-N 1 3 334.420 2.340 20 5 EEBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCN(C)CC1 ZINC000453106656 467460478 /nfs/dbraw/zinc/46/04/78/467460478.db2.gz ZCMOAZFMECBZQQ-INIZCTEOSA-N 1 3 334.464 2.143 20 5 EEBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000866261441 1201479325 /nfs/dbraw/zinc/47/93/25/1201479325.db2.gz TWIGDAVPOLVMIX-DAXOMENPSA-N 1 3 337.395 2.118 20 5 EEBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000866261441 1201479328 /nfs/dbraw/zinc/47/93/28/1201479328.db2.gz TWIGDAVPOLVMIX-DAXOMENPSA-N 1 3 337.395 2.118 20 5 EEBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000923390862 789478591 /nfs/dbraw/zinc/47/85/91/789478591.db2.gz WMGMWSUXLCTPCG-AEFFLSMTSA-N 1 3 333.432 2.340 20 5 EEBDHO CCN1CCN([C@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464563 320028218 /nfs/dbraw/zinc/02/82/18/320028218.db2.gz MTBXKOIPVCJZET-RHSMWYFYSA-N 1 3 332.448 2.198 20 5 EEBDHO CC[C@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000361184473 465821450 /nfs/dbraw/zinc/82/14/50/465821450.db2.gz QRNYEUDOSSOSOD-WBVHZDCISA-N 1 3 348.447 2.223 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593735985 469116917 /nfs/dbraw/zinc/11/69/17/469116917.db2.gz CJLKDDBTWNDLHH-DAYGRLMNSA-N 1 3 349.431 2.192 20 5 EEBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)N2CCC(C[NH3+])CC2)c1F ZINC001246540104 1310335296 /nfs/dbraw/zinc/33/52/96/1310335296.db2.gz VEOLYMDRJRYUSP-LLVKDONJSA-N 1 3 325.384 2.344 20 5 EEBDHO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@H](CC[NH3+])C1 ZINC001576317751 1343997649 /nfs/dbraw/zinc/99/76/49/1343997649.db2.gz ZLIAGRVKGRLLDA-NEPJUHHUSA-N 1 3 331.376 2.377 20 5 EEBDHO C[C@H](CN)C[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010488 797195996 /nfs/dbraw/zinc/19/59/96/797195996.db2.gz XESBEVWPSJNMMC-LLVKDONJSA-N 1 3 342.390 2.368 20 5 EEBDHO C[C@H](CN)C[N@@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010488 797195999 /nfs/dbraw/zinc/19/59/99/797195999.db2.gz XESBEVWPSJNMMC-LLVKDONJSA-N 1 3 342.390 2.368 20 5 EEBDHO COc1cccc(CC2([NH3+])CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998233 803563987 /nfs/dbraw/zinc/56/39/87/803563987.db2.gz KEHDXVNTFUVWFT-IRXDYDNUSA-N 1 3 347.459 2.476 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@@H]1CN ZINC000420336364 467364841 /nfs/dbraw/zinc/36/48/41/467364841.db2.gz MDIGEKOMAMKTMW-IUODEOHRSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@@H]1CN ZINC000420336364 467364845 /nfs/dbraw/zinc/36/48/45/467364845.db2.gz MDIGEKOMAMKTMW-IUODEOHRSA-N 1 3 334.420 2.291 20 5 EEBDHO CN1CC=C(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000776168914 577453725 /nfs/dbraw/zinc/45/37/25/577453725.db2.gz UERLCXZIUFNXJL-UHFFFAOYSA-N 1 3 330.432 2.415 20 5 EEBDHO CCN1CCN([C@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464562 320028269 /nfs/dbraw/zinc/02/82/69/320028269.db2.gz MTBXKOIPVCJZET-PBHICJAKSA-N 1 3 332.448 2.198 20 5 EEBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411724126 466887339 /nfs/dbraw/zinc/88/73/39/466887339.db2.gz YHIWNYKTUSTWPG-SJPCQFCGSA-N 1 3 346.431 2.480 20 5 EEBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411724126 466887345 /nfs/dbraw/zinc/88/73/45/466887345.db2.gz YHIWNYKTUSTWPG-SJPCQFCGSA-N 1 3 346.431 2.480 20 5 EEBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1NC[C@H]1C[NH2+]CCCO1 ZINC000415033260 467471448 /nfs/dbraw/zinc/47/14/48/467471448.db2.gz GUWOALXRIWKCMH-UAGQMJEPSA-N 1 3 333.432 2.274 20 5 EEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000449191565 467622710 /nfs/dbraw/zinc/62/27/10/467622710.db2.gz PKKIMMZNFARVTM-CCKFTAQKSA-N 1 3 347.459 2.493 20 5 EEBDHO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CN1CCCC1 ZINC000602519078 469347553 /nfs/dbraw/zinc/34/75/53/469347553.db2.gz VFNOEVDJVPUQFV-OAHLLOKOSA-N 1 3 347.463 2.280 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342100381 161039222 /nfs/dbraw/zinc/03/92/22/161039222.db2.gz KCOKEZBLBOYXOH-BPUTZDHNSA-N 1 3 346.431 2.291 20 5 EEBDHO CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435630226 467483219 /nfs/dbraw/zinc/48/32/19/467483219.db2.gz WNNOAEUCZDKGOP-AWEZNQCLSA-N 1 3 337.420 2.446 20 5 EEBDHO C[NH+](C)C1CCN(CCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893361116 684898056 /nfs/dbraw/zinc/89/80/56/684898056.db2.gz UMKHAISPXBUCSY-UHFFFAOYSA-N 1 3 340.855 2.364 20 5 EEBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001254545352 1318117563 /nfs/dbraw/zinc/11/75/63/1318117563.db2.gz MEKUZYBPAWDSCZ-BPUTZDHNSA-N 1 3 333.432 2.497 20 5 EEBDHO CN1CC[NH+](CC2(C)CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000368835968 166136064 /nfs/dbraw/zinc/13/60/64/166136064.db2.gz VXCICLNYSBWAAD-UHFFFAOYSA-N 1 3 346.475 2.444 20 5 EEBDHO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000176286168 464739645 /nfs/dbraw/zinc/73/96/45/464739645.db2.gz KODNZWASTWBWFR-QGZVFWFLSA-N 1 3 343.431 2.245 20 5 EEBDHO C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000176286168 464739652 /nfs/dbraw/zinc/73/96/52/464739652.db2.gz KODNZWASTWBWFR-QGZVFWFLSA-N 1 3 343.431 2.245 20 5 EEBDHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282641276 464894359 /nfs/dbraw/zinc/89/43/59/464894359.db2.gz BRFCKKQREALLDM-UHFFFAOYSA-N 1 3 338.427 2.192 20 5 EEBDHO COC[C@@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1 ZINC000423412836 466743199 /nfs/dbraw/zinc/74/31/99/466743199.db2.gz IUIHIHFNDLJFQF-AEFFLSMTSA-N 1 3 333.432 2.274 20 5 EEBDHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420388154 467390871 /nfs/dbraw/zinc/39/08/71/467390871.db2.gz WWWDVEHQVBSLDZ-ZWKOTPCHSA-N 1 3 349.431 2.192 20 5 EEBDHO N[C@@H]1CC[N@@H+](C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260237 1319121234 /nfs/dbraw/zinc/12/12/34/1319121234.db2.gz YZJFMGNFRIKHKR-CYBMUJFWSA-N 1 3 341.415 2.145 20 5 EEBDHO N[C@@H]1CC[N@H+](C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260237 1319121237 /nfs/dbraw/zinc/12/12/37/1319121237.db2.gz YZJFMGNFRIKHKR-CYBMUJFWSA-N 1 3 341.415 2.145 20 5 EEBDHO C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041481 240340230 /nfs/dbraw/zinc/34/02/30/240340230.db2.gz JCEJBYSJTZHMKQ-BPNCWPANSA-N 1 3 327.812 2.133 20 5 EEBDHO C[C@H](N)[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041481 240340234 /nfs/dbraw/zinc/34/02/34/240340234.db2.gz JCEJBYSJTZHMKQ-BPNCWPANSA-N 1 3 327.812 2.133 20 5 EEBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CNCCCO1 ZINC000423495783 466758345 /nfs/dbraw/zinc/75/83/45/466758345.db2.gz VLZVEGHVFOOYFX-KBPBESRZSA-N 1 3 339.461 2.434 20 5 EEBDHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420388153 467390510 /nfs/dbraw/zinc/39/05/10/467390510.db2.gz WWWDVEHQVBSLDZ-ROUUACIJSA-N 1 3 349.431 2.192 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420418653 467402132 /nfs/dbraw/zinc/40/21/32/467402132.db2.gz XCMJOMDSNGFMLT-GXTWGEPZSA-N 1 3 334.420 2.149 20 5 EEBDHO O=[N+]([O-])c1ccc([C@H](O)CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000878747164 1200652669 /nfs/dbraw/zinc/65/26/69/1200652669.db2.gz JUTSJWNGNPOJKJ-GOSISDBHSA-N 1 3 342.399 2.236 20 5 EEBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903758190 1241855157 /nfs/dbraw/zinc/85/51/57/1241855157.db2.gz JIYMDGMMEBRGLZ-MRXNPFEDSA-N 1 3 333.432 2.228 20 5 EEBDHO O=C(CCC[NH+]1CCCCC1)NCCNCc1ccc([N+](=O)[O-])cc1 ZINC001151361307 1316512932 /nfs/dbraw/zinc/51/29/32/1316512932.db2.gz DXJGGFGHFBPLIV-UHFFFAOYSA-N 1 3 348.447 2.067 20 5 EEBDHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420397567 467395159 /nfs/dbraw/zinc/39/51/59/467395159.db2.gz XNSNXWWICBCQFT-YJBOKZPZSA-N 1 3 349.431 2.192 20 5 EEBDHO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000872038759 1198033616 /nfs/dbraw/zinc/03/36/16/1198033616.db2.gz PWAWBMWJIXZTKR-GFCCVEGCSA-N 1 3 339.461 2.424 20 5 EEBDHO C[C@@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558863 1277267495 /nfs/dbraw/zinc/26/74/95/1277267495.db2.gz UXOYHZIJMIIFIS-DOMZBBRYSA-N 1 3 334.420 2.081 20 5 EEBDHO N=C(NCCCC[NH3+])Nc1c(Br)cc(F)cc1[N+](=O)[O-] ZINC001167877742 778950760 /nfs/dbraw/zinc/95/07/60/778950760.db2.gz CTRYRDJZJKNACI-UHFFFAOYSA-N 1 3 348.176 2.172 20 5 EEBDHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000346058067 312271939 /nfs/dbraw/zinc/27/19/39/312271939.db2.gz APUSDRMRUOBGQT-GDBMZVCRSA-N 1 3 348.447 2.141 20 5 EEBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CCN(C)C)CC1 ZINC000449072053 315412277 /nfs/dbraw/zinc/41/22/77/315412277.db2.gz DMINUIPYCNPDCH-HNNXBMFYSA-N 1 3 334.464 2.141 20 5 EEBDHO CC(C)N1CCN(CCC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282560904 464866207 /nfs/dbraw/zinc/86/62/07/464866207.db2.gz YMPWUSWVEGNEJQ-UHFFFAOYSA-N 1 3 348.491 2.485 20 5 EEBDHO CC(C)N1CCN(CCC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000282560904 464866213 /nfs/dbraw/zinc/86/62/13/464866213.db2.gz YMPWUSWVEGNEJQ-UHFFFAOYSA-N 1 3 348.491 2.485 20 5 EEBDHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420382083 467387314 /nfs/dbraw/zinc/38/73/14/467387314.db2.gz DKCXUGVSCQNGRX-FUHWJXTLSA-N 1 3 333.432 2.356 20 5 EEBDHO CCN(CC)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602586237 469372709 /nfs/dbraw/zinc/37/27/09/469372709.db2.gz LIIOWRBTMFLDKQ-UHFFFAOYSA-N 1 3 335.452 2.280 20 5 EEBDHO C[C@@H]1C[C@H](C[NH3+])CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000442780919 242111675 /nfs/dbraw/zinc/11/16/75/242111675.db2.gz OMHOXESJCFJBSA-CHWSQXEVSA-N 1 3 330.388 2.461 20 5 EEBDHO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943237 293333124 /nfs/dbraw/zinc/33/31/24/293333124.db2.gz YSZJYQYBCSDHEI-ZIAGYGMSSA-N 1 3 348.447 2.329 20 5 EEBDHO CCN1CCN(CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576886468 320212744 /nfs/dbraw/zinc/21/27/44/320212744.db2.gz LDDHQUDSHPTDJJ-QGZVFWFLSA-N 1 3 332.448 2.199 20 5 EEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000447530342 467587832 /nfs/dbraw/zinc/58/78/32/467587832.db2.gz MIHZBBDMESQZPF-LVQVYYBASA-N 1 3 333.436 2.491 20 5 EEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000447530342 467587833 /nfs/dbraw/zinc/58/78/33/467587833.db2.gz MIHZBBDMESQZPF-LVQVYYBASA-N 1 3 333.436 2.491 20 5 EEBDHO COCC1(CNCc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]CC1 ZINC000841068602 1315466777 /nfs/dbraw/zinc/46/67/77/1315466777.db2.gz SGPIZIFEOOXYDQ-UHFFFAOYSA-N 1 3 327.812 2.354 20 5 EEBDHO C[C@H]([NH3+])[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000351865473 465406088 /nfs/dbraw/zinc/40/60/88/465406088.db2.gz NLCOYJUXRQWREX-GXTWGEPZSA-N 1 3 330.388 2.461 20 5 EEBDHO CN1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC001157915989 1318929111 /nfs/dbraw/zinc/92/91/11/1318929111.db2.gz JLHCXLRUGXNSBF-UHFFFAOYSA-N 1 3 340.387 2.251 20 5 EEBDHO CCN(CC)CCNC(=[NH2+])Nc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001163125499 1321043014 /nfs/dbraw/zinc/04/30/14/1321043014.db2.gz DAOJEQHJWAFHSP-UHFFFAOYSA-N 1 3 330.392 2.421 20 5 EEBDHO COc1ccc(C[C@H](C)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341379 809915050 /nfs/dbraw/zinc/91/50/50/809915050.db2.gz PXDMSZDRFZNMNN-IMJJTQAJSA-N 1 3 333.432 2.418 20 5 EEBDHO COc1ccc(C[C@H](C)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341379 809915052 /nfs/dbraw/zinc/91/50/52/809915052.db2.gz PXDMSZDRFZNMNN-IMJJTQAJSA-N 1 3 333.432 2.418 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532240656 468104816 /nfs/dbraw/zinc/10/48/16/468104816.db2.gz VEOLJJYAJDOANE-ZIAGYGMSSA-N 1 3 334.420 2.243 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532240656 468104819 /nfs/dbraw/zinc/10/48/19/468104819.db2.gz VEOLJJYAJDOANE-ZIAGYGMSSA-N 1 3 334.420 2.243 20 5 EEBDHO Cc1cc(NC[C@H]2CN(C)CCN2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326123502 465034745 /nfs/dbraw/zinc/03/47/45/465034745.db2.gz GIFAOLAWMWJOPQ-AWEZNQCLSA-N 1 3 329.404 2.109 20 5 EEBDHO CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488744 468710005 /nfs/dbraw/zinc/71/00/05/468710005.db2.gz MWPQWJCLTGDGDR-ZFWWWQNUSA-N 1 3 334.420 2.291 20 5 EEBDHO CCC[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584585581 468903086 /nfs/dbraw/zinc/90/30/86/468903086.db2.gz LOEAUEGICDKVSR-AWEZNQCLSA-N 1 3 334.420 2.245 20 5 EEBDHO CCC[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584585581 468903092 /nfs/dbraw/zinc/90/30/92/468903092.db2.gz LOEAUEGICDKVSR-AWEZNQCLSA-N 1 3 334.420 2.245 20 5 EEBDHO CCCN1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584585581 468903099 /nfs/dbraw/zinc/90/30/99/468903099.db2.gz LOEAUEGICDKVSR-AWEZNQCLSA-N 1 3 334.420 2.245 20 5 EEBDHO Cc1cc(C)c([N+](=O)[O-])c(N(C2CC[NH2+]CC2)C2CCN(C)CC2)n1 ZINC001158580341 1319320034 /nfs/dbraw/zinc/32/00/34/1319320034.db2.gz DVIYSKHZJWRKIY-UHFFFAOYSA-N 1 3 347.463 2.259 20 5 EEBDHO C[C@@H](CN)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009737 797195261 /nfs/dbraw/zinc/19/52/61/797195261.db2.gz PWHWGDWZNQAUAU-JTQLQIEISA-N 1 3 328.363 2.026 20 5 EEBDHO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000374919027 167069270 /nfs/dbraw/zinc/06/92/70/167069270.db2.gz SXMNALPUTWNBLK-WBVHZDCISA-N 1 3 343.431 2.292 20 5 EEBDHO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374919027 167069271 /nfs/dbraw/zinc/06/92/71/167069271.db2.gz SXMNALPUTWNBLK-WBVHZDCISA-N 1 3 343.431 2.292 20 5 EEBDHO C[C@@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374919027 167069274 /nfs/dbraw/zinc/06/92/74/167069274.db2.gz SXMNALPUTWNBLK-WBVHZDCISA-N 1 3 343.431 2.292 20 5 EEBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CC[N@H+](C)C1 ZINC000358225330 466555395 /nfs/dbraw/zinc/55/53/95/466555395.db2.gz COMZCRLGKZVSHM-CZUORRHYSA-N 1 3 339.461 2.122 20 5 EEBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358225330 466555402 /nfs/dbraw/zinc/55/54/02/466555402.db2.gz COMZCRLGKZVSHM-CZUORRHYSA-N 1 3 339.461 2.122 20 5 EEBDHO C[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733339 469114077 /nfs/dbraw/zinc/11/40/77/469114077.db2.gz LQGJUYXQANKWHL-XJKSGUPXSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CCN ZINC000593733339 469114082 /nfs/dbraw/zinc/11/40/82/469114082.db2.gz LQGJUYXQANKWHL-XJKSGUPXSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1CCN ZINC000593733339 469114086 /nfs/dbraw/zinc/11/40/86/469114086.db2.gz LQGJUYXQANKWHL-XJKSGUPXSA-N 1 3 334.420 2.373 20 5 EEBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001168992971 803560609 /nfs/dbraw/zinc/56/06/09/803560609.db2.gz LXBOWUBDUSXMRV-IAGOWNOFSA-N 1 3 332.448 2.329 20 5 EEBDHO CN1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269994752 464151698 /nfs/dbraw/zinc/15/16/98/464151698.db2.gz HICKTQCSYTUHNN-DOTOQJQBSA-N 1 3 347.459 2.352 20 5 EEBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@H]2CC23CC[NH2+]CC3)c1 ZINC000591281648 468437183 /nfs/dbraw/zinc/43/71/83/468437183.db2.gz HXFFPTWJYZFZPF-ZDUSSCGKSA-N 1 3 327.331 2.428 20 5 EEBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358225329 466554915 /nfs/dbraw/zinc/55/49/15/466554915.db2.gz COMZCRLGKZVSHM-CJNGLKHVSA-N 1 3 339.461 2.122 20 5 EEBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358225329 466554922 /nfs/dbraw/zinc/55/49/22/466554922.db2.gz COMZCRLGKZVSHM-CJNGLKHVSA-N 1 3 339.461 2.122 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000423271297 466708301 /nfs/dbraw/zinc/70/83/01/466708301.db2.gz IVEXMJUTCRBWBL-WWGRRREGSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000423271297 466708304 /nfs/dbraw/zinc/70/83/04/466708304.db2.gz IVEXMJUTCRBWBL-WWGRRREGSA-N 1 3 334.420 2.419 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420364543 467379804 /nfs/dbraw/zinc/37/98/04/467379804.db2.gz PEOIBUIBQYYHOD-HNNXBMFYSA-N 1 3 334.420 2.210 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420364543 467379808 /nfs/dbraw/zinc/37/98/08/467379808.db2.gz PEOIBUIBQYYHOD-HNNXBMFYSA-N 1 3 334.420 2.210 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430571221 467443062 /nfs/dbraw/zinc/44/30/62/467443062.db2.gz HRFVABZFLOYBGS-ZIAGYGMSSA-N 1 3 334.420 2.291 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593737668 469117479 /nfs/dbraw/zinc/11/74/79/469117479.db2.gz TVQHHFACNIQMLN-DAYGRLMNSA-N 1 3 349.431 2.192 20 5 EEBDHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422633829 240166331 /nfs/dbraw/zinc/16/63/31/240166331.db2.gz ISKUZUNBXZEYCB-MCIONIFRSA-N 1 3 334.420 2.229 20 5 EEBDHO C[NH+]1CCC(C)(CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611543696 469275958 /nfs/dbraw/zinc/27/59/58/469275958.db2.gz AWWPPFIPQRCTBG-UHFFFAOYSA-N 1 3 335.404 2.188 20 5 EEBDHO C[C@@H](CN)C[N@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010494 797195920 /nfs/dbraw/zinc/19/59/20/797195920.db2.gz XESBEVWPSJNMMC-NSHDSACASA-N 1 3 342.390 2.368 20 5 EEBDHO C[C@@H](CN)C[N@@H+](C)C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173010494 797195921 /nfs/dbraw/zinc/19/59/21/797195921.db2.gz XESBEVWPSJNMMC-NSHDSACASA-N 1 3 342.390 2.368 20 5 EEBDHO COc1ccccc1CC1([NH3+])CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000664 803565982 /nfs/dbraw/zinc/56/59/82/803565982.db2.gz YOVPUASEIJSEPY-DOTOQJQBSA-N 1 3 347.459 2.476 20 5 EEBDHO CCC[NH+](CCC)CCN1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036782 803580259 /nfs/dbraw/zinc/58/02/59/803580259.db2.gz HIFJHNMVJCOXNY-QZTJIDSGSA-N 1 3 340.512 2.171 20 5 EEBDHO Cc1cc(NCCN2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2n1 ZINC000272854807 256243835 /nfs/dbraw/zinc/24/38/35/256243835.db2.gz PDUFJFHFCFZKAD-UHFFFAOYSA-N 1 3 329.404 2.111 20 5 EEBDHO Cc1cc(NCCN2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272854807 256243836 /nfs/dbraw/zinc/24/38/36/256243836.db2.gz PDUFJFHFCFZKAD-UHFFFAOYSA-N 1 3 329.404 2.111 20 5 EEBDHO CCN(C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858165 159046406 /nfs/dbraw/zinc/04/64/06/159046406.db2.gz YZODSOFTEWRVTB-AWEZNQCLSA-N 1 3 334.420 2.197 20 5 EEBDHO CCN(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858165 159046407 /nfs/dbraw/zinc/04/64/07/159046407.db2.gz YZODSOFTEWRVTB-AWEZNQCLSA-N 1 3 334.420 2.197 20 5 EEBDHO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697939 313065328 /nfs/dbraw/zinc/06/53/28/313065328.db2.gz WYKNMJOASUPCFA-MRXNPFEDSA-N 1 3 348.447 2.003 20 5 EEBDHO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000414697939 313065332 /nfs/dbraw/zinc/06/53/32/313065332.db2.gz WYKNMJOASUPCFA-MRXNPFEDSA-N 1 3 348.447 2.003 20 5 EEBDHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000420389316 313948939 /nfs/dbraw/zinc/94/89/39/313948939.db2.gz YAFPGGRGHSEETI-YJBOKZPZSA-N 1 3 349.431 2.192 20 5 EEBDHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285460599 464572942 /nfs/dbraw/zinc/57/29/42/464572942.db2.gz ZVJIKRYOQDXCTJ-ULFGMLNVSA-N 1 3 348.447 2.205 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430571216 467442788 /nfs/dbraw/zinc/44/27/88/467442788.db2.gz HRFVABZFLOYBGS-KBPBESRZSA-N 1 3 334.420 2.291 20 5 EEBDHO O=[N+]([O-])c1cccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000592984030 468833315 /nfs/dbraw/zinc/83/33/15/468833315.db2.gz CVJFSMQSGYPIAB-UHFFFAOYSA-N 1 3 332.448 2.497 20 5 EEBDHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC001203456004 787991814 /nfs/dbraw/zinc/99/18/14/787991814.db2.gz NRFPPFRUICABJO-UHFFFAOYSA-N 1 3 348.447 2.017 20 5 EEBDHO CN(CCCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1)CC[NH+](C)C ZINC000289446223 275116421 /nfs/dbraw/zinc/11/64/21/275116421.db2.gz OSVYZBPRFKPEBI-UHFFFAOYSA-N 1 3 349.435 2.051 20 5 EEBDHO C[NH+]1CCC(O)(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000077450172 462986126 /nfs/dbraw/zinc/98/61/26/462986126.db2.gz CUEJADNZBANVBZ-UHFFFAOYSA-N 1 3 345.399 2.401 20 5 EEBDHO C[C@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733335 469114516 /nfs/dbraw/zinc/11/45/16/469114516.db2.gz LQGJUYXQANKWHL-BBRMVZONSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CCN ZINC000593733335 469114523 /nfs/dbraw/zinc/11/45/23/469114523.db2.gz LQGJUYXQANKWHL-BBRMVZONSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CCN ZINC000593733335 469114530 /nfs/dbraw/zinc/11/45/30/469114530.db2.gz LQGJUYXQANKWHL-BBRMVZONSA-N 1 3 334.420 2.373 20 5 EEBDHO CN(C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877074079 1199858363 /nfs/dbraw/zinc/85/83/63/1199858363.db2.gz ZAUIKVMQFVTYTQ-JKSUJKDBSA-N 1 3 347.463 2.421 20 5 EEBDHO C/C(=C\c1cccc([N+](=O)[O-])c1)CNCCC[NH+]1CCC(O)CC1 ZINC000344832969 161249590 /nfs/dbraw/zinc/24/95/90/161249590.db2.gz OLYWXENYKPRKLK-NTCAYCPXSA-N 1 3 333.432 2.435 20 5 EEBDHO C[C@@H]1C[C@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000090539558 462796625 /nfs/dbraw/zinc/79/66/25/462796625.db2.gz JOSUARYZCCUGIG-NVXWUHKLSA-N 1 3 343.431 2.434 20 5 EEBDHO C[C@@H]1C[C@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000090539558 462796626 /nfs/dbraw/zinc/79/66/26/462796626.db2.gz JOSUARYZCCUGIG-NVXWUHKLSA-N 1 3 343.431 2.434 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602808946 469089495 /nfs/dbraw/zinc/08/94/95/469089495.db2.gz FYRTWWZJZLSRMB-UKRRQHHQSA-N 1 3 335.452 2.342 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CCN[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000602808946 469089501 /nfs/dbraw/zinc/08/95/01/469089501.db2.gz FYRTWWZJZLSRMB-UKRRQHHQSA-N 1 3 335.452 2.342 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@@H]1CCCN(C2CCC2)C1 ZINC000602808946 469089507 /nfs/dbraw/zinc/08/95/07/469089507.db2.gz FYRTWWZJZLSRMB-UKRRQHHQSA-N 1 3 335.452 2.342 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000414799213 313092747 /nfs/dbraw/zinc/09/27/47/313092747.db2.gz JXEDUXGOPXKPBV-XJKCOSOUSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414799213 313092749 /nfs/dbraw/zinc/09/27/49/313092749.db2.gz JXEDUXGOPXKPBV-XJKCOSOUSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856214 313103606 /nfs/dbraw/zinc/10/36/06/313103606.db2.gz OBPGLXYQISRQBF-RDBSUJKOSA-N 1 3 334.420 2.290 20 5 EEBDHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000415136604 313120629 /nfs/dbraw/zinc/12/06/29/313120629.db2.gz CTPHKYWSAFCVOL-UHFFFAOYSA-N 1 3 331.372 2.140 20 5 EEBDHO Cc1cc(N[C@@H](C)CN2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083861 463317380 /nfs/dbraw/zinc/31/73/80/463317380.db2.gz JUUDBSKBWAIWIP-AWEZNQCLSA-N 1 3 343.431 2.499 20 5 EEBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285613276 464627964 /nfs/dbraw/zinc/62/79/64/464627964.db2.gz WBABZRDXYADWRL-YIONKMFJSA-N 1 3 346.431 2.480 20 5 EEBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285613276 464627969 /nfs/dbraw/zinc/62/79/69/464627969.db2.gz WBABZRDXYADWRL-YIONKMFJSA-N 1 3 346.431 2.480 20 5 EEBDHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420393721 467393300 /nfs/dbraw/zinc/39/33/00/467393300.db2.gz QTZDAONVGVRAPA-MAUKXSAKSA-N 1 3 349.431 2.192 20 5 EEBDHO O=[N+]([O-])c1ccn(CCN2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000610484786 468981681 /nfs/dbraw/zinc/98/16/81/468981681.db2.gz DAJYIUOLVCIGOR-UHFFFAOYSA-N 1 3 335.452 2.379 20 5 EEBDHO CC(C)N1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602656824 468992185 /nfs/dbraw/zinc/99/21/85/468992185.db2.gz OHUGAYAWRUWAQR-HNNXBMFYSA-N 1 3 347.463 2.279 20 5 EEBDHO COc1cc(CNCC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000459744794 245233095 /nfs/dbraw/zinc/23/30/95/245233095.db2.gz XWFOVVLPCIPVBU-CYBMUJFWSA-N 1 3 337.420 2.434 20 5 EEBDHO COc1cc(CNCC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000459744794 245233102 /nfs/dbraw/zinc/23/31/02/245233102.db2.gz XWFOVVLPCIPVBU-CYBMUJFWSA-N 1 3 337.420 2.434 20 5 EEBDHO Cn1cc(C[NH2+]CC2=CCN(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000345154642 161277167 /nfs/dbraw/zinc/27/71/67/161277167.db2.gz AFIZJPRQLDYHNK-UHFFFAOYSA-N 1 3 341.415 2.347 20 5 EEBDHO Cn1cc(CNCC2=CC[N@H+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000345154642 161277168 /nfs/dbraw/zinc/27/71/68/161277168.db2.gz AFIZJPRQLDYHNK-UHFFFAOYSA-N 1 3 341.415 2.347 20 5 EEBDHO Cn1cc(CNCC2=CC[N@@H+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000345154642 161277169 /nfs/dbraw/zinc/27/71/69/161277169.db2.gz AFIZJPRQLDYHNK-UHFFFAOYSA-N 1 3 341.415 2.347 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420397555 467394786 /nfs/dbraw/zinc/39/47/86/467394786.db2.gz XNSNXWWICBCQFT-CRAIPNDOSA-N 1 3 349.431 2.192 20 5 EEBDHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422633831 240167751 /nfs/dbraw/zinc/16/77/51/240167751.db2.gz ISKUZUNBXZEYCB-RDBSUJKOSA-N 1 3 334.420 2.229 20 5 EEBDHO CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCN(CC)CC1 ZINC000344173590 161204539 /nfs/dbraw/zinc/20/45/39/161204539.db2.gz VGSXOROMOPDIDN-UHFFFAOYSA-N 1 3 348.491 2.487 20 5 EEBDHO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCN1CCN(CC)CC1 ZINC000344173590 161204540 /nfs/dbraw/zinc/20/45/40/161204540.db2.gz VGSXOROMOPDIDN-UHFFFAOYSA-N 1 3 348.491 2.487 20 5 EEBDHO Cc1c(C[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079888 1198494659 /nfs/dbraw/zinc/49/46/59/1198494659.db2.gz JINMNPCULHVJLC-MSOLQXFVSA-N 1 3 333.432 2.371 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000114198723 462631147 /nfs/dbraw/zinc/63/11/47/462631147.db2.gz GTNHGIKMHMHMCT-AWEZNQCLSA-N 1 3 334.420 2.115 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000114198723 462631153 /nfs/dbraw/zinc/63/11/53/462631153.db2.gz GTNHGIKMHMHMCT-AWEZNQCLSA-N 1 3 334.420 2.115 20 5 EEBDHO C[NH+]1CCC2(CCCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374175816 467024876 /nfs/dbraw/zinc/02/48/76/467024876.db2.gz RVVDGKXFKKDJCT-KRWDZBQOSA-N 1 3 333.432 2.436 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435620336 467482057 /nfs/dbraw/zinc/48/20/57/467482057.db2.gz BEAAQKMHSMSHRT-CQSZACIVSA-N 1 3 334.420 2.306 20 5 EEBDHO N=C(NCCCC[NH3+])Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001157096898 1318400105 /nfs/dbraw/zinc/40/01/05/1318400105.db2.gz OSWYFOMAQHSMRI-UHFFFAOYSA-N 1 3 336.783 2.472 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532240655 468105308 /nfs/dbraw/zinc/10/53/08/468105308.db2.gz VEOLJJYAJDOANE-UONOGXRCSA-N 1 3 334.420 2.243 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532240655 468105311 /nfs/dbraw/zinc/10/53/11/468105311.db2.gz VEOLJJYAJDOANE-UONOGXRCSA-N 1 3 334.420 2.243 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532530739 468123149 /nfs/dbraw/zinc/12/31/49/468123149.db2.gz MHFBCYZADIEQIF-UONOGXRCSA-N 1 3 334.420 2.243 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532530739 468123150 /nfs/dbraw/zinc/12/31/50/468123150.db2.gz MHFBCYZADIEQIF-UONOGXRCSA-N 1 3 334.420 2.243 20 5 EEBDHO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001168992972 803560636 /nfs/dbraw/zinc/56/06/36/803560636.db2.gz LXBOWUBDUSXMRV-IRXDYDNUSA-N 1 3 332.448 2.329 20 5 EEBDHO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccccn3)CC2)C1 ZINC001168992970 803560824 /nfs/dbraw/zinc/56/08/24/803560824.db2.gz LXBOWUBDUSXMRV-DLBZAZTESA-N 1 3 332.448 2.329 20 5 EEBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349035610 285282719 /nfs/dbraw/zinc/28/27/19/285282719.db2.gz KFZCSGKVDMKCNS-SFHVURJKSA-N 1 3 334.464 2.443 20 5 EEBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349035610 285282721 /nfs/dbraw/zinc/28/27/21/285282721.db2.gz KFZCSGKVDMKCNS-SFHVURJKSA-N 1 3 334.464 2.443 20 5 EEBDHO Cc1nc(NC2CCN(C3CC[NH+](C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000268476419 463759572 /nfs/dbraw/zinc/75/95/72/463759572.db2.gz KKOMJCCOMBKIOY-UHFFFAOYSA-N 1 3 333.436 2.269 20 5 EEBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000349038028 465933233 /nfs/dbraw/zinc/93/32/33/465933233.db2.gz URJNDYGZEKBOTM-QGZVFWFLSA-N 1 3 334.464 2.443 20 5 EEBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000349038028 465933241 /nfs/dbraw/zinc/93/32/41/465933241.db2.gz URJNDYGZEKBOTM-QGZVFWFLSA-N 1 3 334.464 2.443 20 5 EEBDHO CN1CCC(O)(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417317338 466832449 /nfs/dbraw/zinc/83/24/49/466832449.db2.gz WIUCWNPXFYSJGK-QGZVFWFLSA-N 1 3 333.432 2.409 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420386655 467390000 /nfs/dbraw/zinc/39/00/00/467390000.db2.gz JDWFRXRPCRKZTO-CRAIPNDOSA-N 1 3 349.431 2.192 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000602516138 469346613 /nfs/dbraw/zinc/34/66/13/469346613.db2.gz IHQLSYIMUIXTDT-HZPDHXFCSA-N 1 3 345.447 2.175 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000602516138 469346618 /nfs/dbraw/zinc/34/66/18/469346618.db2.gz IHQLSYIMUIXTDT-HZPDHXFCSA-N 1 3 345.447 2.175 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@@H]4C3)CC2)cn1 ZINC000602516138 469346623 /nfs/dbraw/zinc/34/66/23/469346623.db2.gz IHQLSYIMUIXTDT-HZPDHXFCSA-N 1 3 345.447 2.175 20 5 EEBDHO COc1ccc(OCCN2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000358496863 465158877 /nfs/dbraw/zinc/15/88/77/465158877.db2.gz KCHQMLPWUGTLJN-UHFFFAOYSA-N 1 3 335.404 2.058 20 5 EEBDHO CC[C@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592489124 468709408 /nfs/dbraw/zinc/70/94/08/468709408.db2.gz RENPHSVPLQATTM-KBPBESRZSA-N 1 3 334.420 2.291 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593736133 469116010 /nfs/dbraw/zinc/11/60/10/469116010.db2.gz GYCFPVBEHYKKLW-DAYGRLMNSA-N 1 3 349.431 2.192 20 5 EEBDHO CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000592489556 468711025 /nfs/dbraw/zinc/71/10/25/468711025.db2.gz YSWBPXFAGCUPAD-DZGCQCFKSA-N 1 3 334.420 2.291 20 5 EEBDHO COc1ccccc1CC1([NH3+])CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000666 803566009 /nfs/dbraw/zinc/56/60/09/803566009.db2.gz YOVPUASEIJSEPY-RDJZCZTQSA-N 1 3 347.459 2.476 20 5 EEBDHO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174881673 529939644 /nfs/dbraw/zinc/93/96/44/529939644.db2.gz RTHLZPDLZRGPOK-KRWDZBQOSA-N 1 3 343.431 2.245 20 5 EEBDHO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000174881673 529939645 /nfs/dbraw/zinc/93/96/45/529939645.db2.gz RTHLZPDLZRGPOK-KRWDZBQOSA-N 1 3 343.431 2.245 20 5 EEBDHO COCC1(CNCc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000414976694 313118639 /nfs/dbraw/zinc/11/86/39/313118639.db2.gz PSRBTUHJUGVGDM-UHFFFAOYSA-N 1 3 327.812 2.354 20 5 EEBDHO C[NH+](C)C1CCN(CCN[C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563549402 319022515 /nfs/dbraw/zinc/02/25/15/319022515.db2.gz REBWRGPNQCNYLJ-KRWDZBQOSA-N 1 3 332.448 2.198 20 5 EEBDHO Cc1cc([N+](=O)[O-])cnc1NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000264439072 464326377 /nfs/dbraw/zinc/32/63/77/464326377.db2.gz FHQJKXJNSNVHQE-UHFFFAOYSA-N 1 3 333.436 2.269 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000423505039 466760532 /nfs/dbraw/zinc/76/05/32/466760532.db2.gz HAKMVAPUEHXRMN-MLGOLLRUSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449300746 467629581 /nfs/dbraw/zinc/62/95/81/467629581.db2.gz FMECEKCGHDVXLF-HNNXBMFYSA-N 1 3 334.464 2.141 20 5 EEBDHO C[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730768 469113345 /nfs/dbraw/zinc/11/33/45/469113345.db2.gz FKZDVRCJGJTJFO-UKRRQHHQSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCN ZINC000593730768 469113352 /nfs/dbraw/zinc/11/33/52/469113352.db2.gz FKZDVRCJGJTJFO-UKRRQHHQSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCN ZINC000593730768 469113359 /nfs/dbraw/zinc/11/33/59/469113359.db2.gz FKZDVRCJGJTJFO-UKRRQHHQSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CN ZINC000843351106 1315896905 /nfs/dbraw/zinc/89/69/05/1315896905.db2.gz GYPQEBUZLLRMCQ-ABAIWWIYSA-N 1 3 338.383 2.122 20 5 EEBDHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CN ZINC000843351106 1315896909 /nfs/dbraw/zinc/89/69/09/1315896909.db2.gz GYPQEBUZLLRMCQ-ABAIWWIYSA-N 1 3 338.383 2.122 20 5 EEBDHO CCN([C@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033665 803578673 /nfs/dbraw/zinc/57/86/73/803578673.db2.gz DEXHSGPMTPHMHQ-OIISXLGYSA-N 1 3 325.453 2.007 20 5 EEBDHO CCN1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000236825591 242373075 /nfs/dbraw/zinc/37/30/75/242373075.db2.gz NVHGZNMDXWEVER-CQSZACIVSA-N 1 3 343.431 2.427 20 5 EEBDHO COc1cc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])cc1OC ZINC000414772670 313083634 /nfs/dbraw/zinc/08/36/34/313083634.db2.gz VDVMUOJKBCAGAE-BETUJISGSA-N 1 3 335.404 2.043 20 5 EEBDHO O=[N+]([O-])c1ccc(CCNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000602569317 469365100 /nfs/dbraw/zinc/36/51/00/469365100.db2.gz PSCLFLBDDOJGMN-RTBURBONSA-N 1 3 347.459 2.495 20 5 EEBDHO CN1CC[C@@H]2C[N@@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254475361 1318082131 /nfs/dbraw/zinc/08/21/31/1318082131.db2.gz QHCXMUMSFINBAU-CVEARBPZSA-N 1 3 344.459 2.447 20 5 EEBDHO CN1CC[C@@H]2C[N@H+](C3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C[C@@H]2C1 ZINC001254475361 1318082141 /nfs/dbraw/zinc/08/21/41/1318082141.db2.gz QHCXMUMSFINBAU-CVEARBPZSA-N 1 3 344.459 2.447 20 5 EEBDHO CCN1CCN(CCCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284062230 293025918 /nfs/dbraw/zinc/02/59/18/293025918.db2.gz KWJDTGJGQFAJJG-HNNXBMFYSA-N 1 3 349.479 2.245 20 5 EEBDHO CN1CCN(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC000580581204 324093296 /nfs/dbraw/zinc/09/32/96/324093296.db2.gz GZKSQRHNANLXLI-MRXNPFEDSA-N 1 3 332.448 2.198 20 5 EEBDHO C[C@H]1C[C@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000090539559 462796651 /nfs/dbraw/zinc/79/66/51/462796651.db2.gz JOSUARYZCCUGIG-DOTOQJQBSA-N 1 3 343.431 2.434 20 5 EEBDHO C[C@H]1C[C@H](NCCn2cc([N+](=O)[O-])cn2)CC[N@H+]1Cc1ccccc1 ZINC000090539559 462796652 /nfs/dbraw/zinc/79/66/52/462796652.db2.gz JOSUARYZCCUGIG-DOTOQJQBSA-N 1 3 343.431 2.434 20 5 EEBDHO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000420327034 467358319 /nfs/dbraw/zinc/35/83/19/467358319.db2.gz COOXRWCTLQNYMC-OCCSQVGLSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000420327034 467358321 /nfs/dbraw/zinc/35/83/21/467358321.db2.gz COOXRWCTLQNYMC-OCCSQVGLSA-N 1 3 334.420 2.291 20 5 EEBDHO CC(C)N1CCN(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254540200 1318116154 /nfs/dbraw/zinc/11/61/54/1318116154.db2.gz QCPDEMNZZHDEEN-MRXNPFEDSA-N 1 3 334.464 2.141 20 5 EEBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]12 ZINC000351498813 465186706 /nfs/dbraw/zinc/18/67/06/465186706.db2.gz VWAJWBVEBNRBLO-FVQBIDKESA-N 1 3 342.399 2.461 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218376 466698367 /nfs/dbraw/zinc/69/83/67/466698367.db2.gz RXHNJNZNUSFSMK-HZSPNIEDSA-N 1 3 334.420 2.290 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C[NH3+])C1CCCC1 ZINC000415064954 467479578 /nfs/dbraw/zinc/47/95/78/467479578.db2.gz LUBWTFSMNKOPHR-BLLLJJGKSA-N 1 3 334.420 2.419 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000531959507 468087016 /nfs/dbraw/zinc/08/70/16/468087016.db2.gz LCUQYVNHHFWHPM-LSDHHAIUSA-N 1 3 348.447 2.141 20 5 EEBDHO C[C@@H]1CCCN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733337 469114866 /nfs/dbraw/zinc/11/48/66/469114866.db2.gz LQGJUYXQANKWHL-CJNGLKHVSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CCN ZINC000593733337 469114873 /nfs/dbraw/zinc/11/48/73/469114873.db2.gz LQGJUYXQANKWHL-CJNGLKHVSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1CCN ZINC000593733337 469114876 /nfs/dbraw/zinc/11/48/76/469114876.db2.gz LQGJUYXQANKWHL-CJNGLKHVSA-N 1 3 334.420 2.373 20 5 EEBDHO CCC[NH+](CCC)CCN1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036787 803580163 /nfs/dbraw/zinc/58/01/63/803580163.db2.gz HIFJHNMVJCOXNY-ROUUACIJSA-N 1 3 340.512 2.171 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342100383 161039472 /nfs/dbraw/zinc/03/94/72/161039472.db2.gz KCOKEZBLBOYXOH-IMJJTQAJSA-N 1 3 346.431 2.291 20 5 EEBDHO Cc1c(C[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079891 1198494403 /nfs/dbraw/zinc/49/44/03/1198494403.db2.gz JINMNPCULHVJLC-ROUUACIJSA-N 1 3 333.432 2.371 20 5 EEBDHO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CN ZINC000843351110 1315896525 /nfs/dbraw/zinc/89/65/25/1315896525.db2.gz GYPQEBUZLLRMCQ-NHYWBVRUSA-N 1 3 338.383 2.122 20 5 EEBDHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@H]1CN ZINC000843351110 1315896526 /nfs/dbraw/zinc/89/65/26/1315896526.db2.gz GYPQEBUZLLRMCQ-NHYWBVRUSA-N 1 3 338.383 2.122 20 5 EEBDHO C[C@@H]1C[C@@H](C[NH3+])CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000442780920 242112412 /nfs/dbraw/zinc/11/24/12/242112412.db2.gz OMHOXESJCFJBSA-OLZOCXBDSA-N 1 3 330.388 2.461 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420397564 467394887 /nfs/dbraw/zinc/39/48/87/467394887.db2.gz XNSNXWWICBCQFT-QAPCUYQASA-N 1 3 349.431 2.192 20 5 EEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000447530344 467587921 /nfs/dbraw/zinc/58/79/21/467587921.db2.gz MIHZBBDMESQZPF-XUWVNRHRSA-N 1 3 333.436 2.491 20 5 EEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000447530344 467587923 /nfs/dbraw/zinc/58/79/23/467587923.db2.gz MIHZBBDMESQZPF-XUWVNRHRSA-N 1 3 333.436 2.491 20 5 EEBDHO CN(C)CCOCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000447593701 242293727 /nfs/dbraw/zinc/29/37/27/242293727.db2.gz UMSDQPJAIRBBQY-RDJZCZTQSA-N 1 3 335.448 2.474 20 5 EEBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000420388151 313949003 /nfs/dbraw/zinc/94/90/03/313949003.db2.gz WWWDVEHQVBSLDZ-MSOLQXFVSA-N 1 3 349.431 2.192 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000423505038 466760283 /nfs/dbraw/zinc/76/02/83/466760283.db2.gz HAKMVAPUEHXRMN-LRDDRELGSA-N 1 3 334.420 2.419 20 5 EEBDHO COc1ccc(OCCN2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000420335678 467363472 /nfs/dbraw/zinc/36/34/72/467363472.db2.gz KVBXELSMFKVACV-INIZCTEOSA-N 1 3 349.431 2.446 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593737670 469118177 /nfs/dbraw/zinc/11/81/77/469118177.db2.gz TVQHHFACNIQMLN-IIDMSEBBSA-N 1 3 349.431 2.192 20 5 EEBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC[C@@H]2CCC[NH2+]C2)c1F ZINC001246196992 1310257390 /nfs/dbraw/zinc/25/73/90/1310257390.db2.gz JEVNTCXHLZDBIB-VXGBXAGGSA-N 1 3 325.384 2.263 20 5 EEBDHO CC(C)N(C)CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001203925317 1321991057 /nfs/dbraw/zinc/99/10/57/1321991057.db2.gz MOUABOFHSVANQL-UHFFFAOYSA-N 1 3 348.447 2.016 20 5 EEBDHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422632968 240167720 /nfs/dbraw/zinc/16/77/20/240167720.db2.gz HMPXUCAXSLCKKI-HZSPNIEDSA-N 1 3 334.420 2.229 20 5 EEBDHO C[C@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943234 293333118 /nfs/dbraw/zinc/33/31/18/293333118.db2.gz YSZJYQYBCSDHEI-UONOGXRCSA-N 1 3 348.447 2.329 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000414799211 313092688 /nfs/dbraw/zinc/09/26/88/313092688.db2.gz JXEDUXGOPXKPBV-IOASZLSFSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414799211 313092689 /nfs/dbraw/zinc/09/26/89/313092689.db2.gz JXEDUXGOPXKPBV-IOASZLSFSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H]([NH3+])[C@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000351865474 465406509 /nfs/dbraw/zinc/40/65/09/465406509.db2.gz NLCOYJUXRQWREX-JSGCOSHPSA-N 1 3 330.388 2.461 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423338674 466722486 /nfs/dbraw/zinc/72/24/86/466722486.db2.gz UTRQCUNOJMMANW-GUYCJALGSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423338674 466722490 /nfs/dbraw/zinc/72/24/90/466722490.db2.gz UTRQCUNOJMMANW-GUYCJALGSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430551044 467438223 /nfs/dbraw/zinc/43/82/23/467438223.db2.gz PNNYZNDYDRUQJL-UONOGXRCSA-N 1 3 334.420 2.291 20 5 EEBDHO O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCCC3CC[NH2+]CC3)C2)nc1 ZINC000592984987 468834076 /nfs/dbraw/zinc/83/40/76/468834076.db2.gz YMSFMAGDEZOFCH-OAHLLOKOSA-N 1 3 333.436 2.256 20 5 EEBDHO C[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730769 469113113 /nfs/dbraw/zinc/11/31/13/469113113.db2.gz FKZDVRCJGJTJFO-ZFWWWQNUSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CCN ZINC000593730769 469113121 /nfs/dbraw/zinc/11/31/21/469113121.db2.gz FKZDVRCJGJTJFO-ZFWWWQNUSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CCN ZINC000593730769 469113124 /nfs/dbraw/zinc/11/31/24/469113124.db2.gz FKZDVRCJGJTJFO-ZFWWWQNUSA-N 1 3 334.420 2.373 20 5 EEBDHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001203437518 781579401 /nfs/dbraw/zinc/57/94/01/781579401.db2.gz MVFQNMKTJXESRR-UHFFFAOYSA-N 1 3 348.447 2.017 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342098314 161039497 /nfs/dbraw/zinc/03/94/97/161039497.db2.gz IFJVEFUKVLMYNH-CWRNSKLLSA-N 1 3 346.431 2.291 20 5 EEBDHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420386656 313947863 /nfs/dbraw/zinc/94/78/63/313947863.db2.gz JDWFRXRPCRKZTO-MAUKXSAKSA-N 1 3 349.431 2.192 20 5 EEBDHO CN(C)CCOCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000447593702 467587774 /nfs/dbraw/zinc/58/77/74/467587774.db2.gz UMSDQPJAIRBBQY-WBVHZDCISA-N 1 3 335.448 2.474 20 5 EEBDHO COc1ccc(CN2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593316068 468936765 /nfs/dbraw/zinc/93/67/65/468936765.db2.gz QDRKHXIFKZCBJJ-MPGHIAIKSA-N 1 3 349.431 2.322 20 5 EEBDHO C[C@@H]1CCCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595905509 469075756 /nfs/dbraw/zinc/07/57/56/469075756.db2.gz UJDXMYYTUXGWKR-IUODEOHRSA-N 1 3 334.420 2.033 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000843356016 1315898472 /nfs/dbraw/zinc/89/84/72/1315898472.db2.gz AUBPEPIVRGUCDO-UHFFFAOYSA-N 1 3 332.448 2.497 20 5 EEBDHO COc1ccc(OCCN2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000441187212 315172903 /nfs/dbraw/zinc/17/29/03/315172903.db2.gz ZJVMHWHXZNCLTJ-UHFFFAOYSA-N 1 3 337.420 2.256 20 5 EEBDHO C[C@]1(C[NH3+])CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261733287 463842903 /nfs/dbraw/zinc/84/29/03/463842903.db2.gz JZKTVYSNHSZJTK-QGZVFWFLSA-N 1 3 330.388 2.463 20 5 EEBDHO C[C@]1(CN)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261733287 463842908 /nfs/dbraw/zinc/84/29/08/463842908.db2.gz JZKTVYSNHSZJTK-QGZVFWFLSA-N 1 3 330.388 2.463 20 5 EEBDHO C[C@]1(CN)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261733287 463842911 /nfs/dbraw/zinc/84/29/11/463842911.db2.gz JZKTVYSNHSZJTK-QGZVFWFLSA-N 1 3 330.388 2.463 20 5 EEBDHO C[NH+]1CCC2(CCCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374175817 467024654 /nfs/dbraw/zinc/02/46/54/467024654.db2.gz RVVDGKXFKKDJCT-QGZVFWFLSA-N 1 3 333.432 2.436 20 5 EEBDHO C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000564854251 319118723 /nfs/dbraw/zinc/11/87/23/319118723.db2.gz MXOAXYFHRTWHPD-ZDUSSCGKSA-N 1 3 336.436 2.489 20 5 EEBDHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285460576 464573196 /nfs/dbraw/zinc/57/31/96/464573196.db2.gz ZVJIKRYOQDXCTJ-BJOOFOGMSA-N 1 3 348.447 2.205 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420418655 467402358 /nfs/dbraw/zinc/40/23/58/467402358.db2.gz XCMJOMDSNGFMLT-OCCSQVGLSA-N 1 3 334.420 2.149 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430551046 467438234 /nfs/dbraw/zinc/43/82/34/467438234.db2.gz PNNYZNDYDRUQJL-ZIAGYGMSSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532530738 468123045 /nfs/dbraw/zinc/12/30/45/468123045.db2.gz MHFBCYZADIEQIF-KGLIPLIRSA-N 1 3 334.420 2.243 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532530738 468123048 /nfs/dbraw/zinc/12/30/48/468123048.db2.gz MHFBCYZADIEQIF-KGLIPLIRSA-N 1 3 334.420 2.243 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C1CC1)C1CC[NH2+]CC1 ZINC000592471292 468705701 /nfs/dbraw/zinc/70/57/01/468705701.db2.gz ROCRNOZNAARGMP-UHFFFAOYSA-N 1 3 346.431 2.448 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000592471292 468705706 /nfs/dbraw/zinc/70/57/06/468705706.db2.gz ROCRNOZNAARGMP-UHFFFAOYSA-N 1 3 346.431 2.448 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000592471292 468705708 /nfs/dbraw/zinc/70/57/08/468705708.db2.gz ROCRNOZNAARGMP-UHFFFAOYSA-N 1 3 346.431 2.448 20 5 EEBDHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CN ZINC000843351108 1315896862 /nfs/dbraw/zinc/89/68/62/1315896862.db2.gz GYPQEBUZLLRMCQ-IAQYHMDHSA-N 1 3 338.383 2.122 20 5 EEBDHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1CN ZINC000843351108 1315896865 /nfs/dbraw/zinc/89/68/65/1315896865.db2.gz GYPQEBUZLLRMCQ-IAQYHMDHSA-N 1 3 338.383 2.122 20 5 EEBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001168992536 803560150 /nfs/dbraw/zinc/56/01/50/803560150.db2.gz KNLASRZRSJVKBW-MSOLQXFVSA-N 1 3 332.448 2.329 20 5 EEBDHO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000420327031 467358936 /nfs/dbraw/zinc/35/89/36/467358936.db2.gz COOXRWCTLQNYMC-GXTWGEPZSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000420327031 467358938 /nfs/dbraw/zinc/35/89/38/467358938.db2.gz COOXRWCTLQNYMC-GXTWGEPZSA-N 1 3 334.420 2.291 20 5 EEBDHO O=[N+]([O-])c1ccn(C2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)n1 ZINC000873207492 1198529465 /nfs/dbraw/zinc/52/94/65/1198529465.db2.gz CCLGZXDKGWQZHZ-UHFFFAOYSA-N 1 3 347.444 2.336 20 5 EEBDHO CN1CCC(O)(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278606012 274382379 /nfs/dbraw/zinc/38/23/79/274382379.db2.gz ATVBJVPYQZDHHK-MRXNPFEDSA-N 1 3 333.432 2.364 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000414773580 313084457 /nfs/dbraw/zinc/08/44/57/313084457.db2.gz AKMGKYKNKLZXEU-JVEBIPGUSA-N 1 3 331.416 2.436 20 5 EEBDHO Cc1c(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000577166068 320237761 /nfs/dbraw/zinc/23/77/61/320237761.db2.gz QAHHCVWYKLJAFY-WBVHZDCISA-N 1 3 331.416 2.104 20 5 EEBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000349061805 465945542 /nfs/dbraw/zinc/94/55/42/465945542.db2.gz KHPSXOAVQGAKBK-GOSISDBHSA-N 1 3 334.464 2.443 20 5 EEBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000349061805 465945547 /nfs/dbraw/zinc/94/55/47/465945547.db2.gz KHPSXOAVQGAKBK-GOSISDBHSA-N 1 3 334.464 2.443 20 5 EEBDHO Cn1cc(CN2CCC(C[NH3+])CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000435375213 467463865 /nfs/dbraw/zinc/46/38/65/467463865.db2.gz UBFBDEOIIZCAOK-UHFFFAOYSA-N 1 3 329.404 2.166 20 5 EEBDHO CN1CCC(N2CCC([NH2+]CCc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000602529265 469351681 /nfs/dbraw/zinc/35/16/81/469351681.db2.gz ALZSHVRHEQYETE-UHFFFAOYSA-N 1 3 346.475 2.286 20 5 EEBDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877074078 1199858295 /nfs/dbraw/zinc/85/82/95/1199858295.db2.gz ZAUIKVMQFVTYTQ-HZPDHXFCSA-N 1 3 347.463 2.421 20 5 EEBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)N2CCC(C[NH3+])CC2)c1F ZINC001246540106 1310335273 /nfs/dbraw/zinc/33/52/73/1310335273.db2.gz VEOLYMDRJRYUSP-NSHDSACASA-N 1 3 325.384 2.344 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000128062826 292335669 /nfs/dbraw/zinc/33/56/69/292335669.db2.gz LCUQYVNHHFWHPM-CABCVRRESA-N 1 3 348.447 2.141 20 5 EEBDHO COc1cc(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000414787171 313089154 /nfs/dbraw/zinc/08/91/54/313089154.db2.gz VEGYVFNINUGTMP-UONOGXRCSA-N 1 3 349.431 2.434 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532240653 468104923 /nfs/dbraw/zinc/10/49/23/468104923.db2.gz VEOLJJYAJDOANE-KBPBESRZSA-N 1 3 334.420 2.243 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532240653 468104927 /nfs/dbraw/zinc/10/49/27/468104927.db2.gz VEOLJJYAJDOANE-KBPBESRZSA-N 1 3 334.420 2.243 20 5 EEBDHO Cn1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414936888 313112472 /nfs/dbraw/zinc/11/24/72/313112472.db2.gz ZNILCBLSWDOAQM-CABCVRRESA-N 1 3 329.404 2.355 20 5 EEBDHO CC(C)[NH+]1CCC(O)(CNC/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000344633892 465737503 /nfs/dbraw/zinc/73/75/03/465737503.db2.gz BLYYBEYLBHTKRG-ALCCZGGFSA-N 1 3 333.432 2.433 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH3+])C1CCCC1 ZINC000423505040 466760340 /nfs/dbraw/zinc/76/03/40/466760340.db2.gz HAKMVAPUEHXRMN-WBMJQRKESA-N 1 3 334.420 2.419 20 5 EEBDHO [NH3+][C@H]1CCO[C@@H](C2CCN(CCOc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000420397560 467395286 /nfs/dbraw/zinc/39/52/86/467395286.db2.gz XNSNXWWICBCQFT-MAUKXSAKSA-N 1 3 349.431 2.192 20 5 EEBDHO CC(C)[C@@](C)(C[NH3+])NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843356424 1315899388 /nfs/dbraw/zinc/89/93/88/1315899388.db2.gz OEZHHXNOSAVUKL-OAHLLOKOSA-N 1 3 326.372 2.026 20 5 EEBDHO CC[NH+](CC)CCNC(=N)Nc1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC001163128402 1321044506 /nfs/dbraw/zinc/04/45/06/1321044506.db2.gz JYHSFGPENZAIBF-UHFFFAOYSA-N 1 3 338.412 2.055 20 5 EEBDHO COc1ccccc1CC1([NH3+])CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000665 803565853 /nfs/dbraw/zinc/56/58/53/803565853.db2.gz YOVPUASEIJSEPY-NVXWUHKLSA-N 1 3 347.459 2.476 20 5 EEBDHO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367026824 466080170 /nfs/dbraw/zinc/08/01/70/466080170.db2.gz DDCPDWHIKUAGFS-LPHOPBHVSA-N 1 3 346.475 2.095 20 5 EEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000449191568 467622522 /nfs/dbraw/zinc/62/25/22/467622522.db2.gz PKKIMMZNFARVTM-ZMYBRWDISA-N 1 3 347.459 2.493 20 5 EEBDHO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(CN)C2)cccc1[N+](=O)[O-] ZINC000593735073 469116539 /nfs/dbraw/zinc/11/65/39/469116539.db2.gz XLEWUROJBPJFRH-KSSFIOAISA-N 1 3 346.431 2.293 20 5 EEBDHO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(CN)C2)cccc1[N+](=O)[O-] ZINC000593735073 469116543 /nfs/dbraw/zinc/11/65/43/469116543.db2.gz XLEWUROJBPJFRH-KSSFIOAISA-N 1 3 346.431 2.293 20 5 EEBDHO Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@]3(C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000593735073 469116550 /nfs/dbraw/zinc/11/65/50/469116550.db2.gz XLEWUROJBPJFRH-KSSFIOAISA-N 1 3 346.431 2.293 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000602516140 469346897 /nfs/dbraw/zinc/34/68/97/469346897.db2.gz IHQLSYIMUIXTDT-JKSUJKDBSA-N 1 3 345.447 2.175 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cn1 ZINC000602516140 469346900 /nfs/dbraw/zinc/34/69/00/469346900.db2.gz IHQLSYIMUIXTDT-JKSUJKDBSA-N 1 3 345.447 2.175 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@@H]4C3)CC2)cn1 ZINC000602516140 469346901 /nfs/dbraw/zinc/34/69/01/469346901.db2.gz IHQLSYIMUIXTDT-JKSUJKDBSA-N 1 3 345.447 2.175 20 5 EEBDHO COc1ccc(C[C@@H](C)N2CCC(F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246626006 1310360080 /nfs/dbraw/zinc/36/00/80/1310360080.db2.gz JBIVGJKNQXUSEZ-GFCCVEGCSA-N 1 3 325.384 2.297 20 5 EEBDHO [NH3+][C@@H]1CC[C@@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000351498815 465187449 /nfs/dbraw/zinc/18/74/49/465187449.db2.gz VWAJWBVEBNRBLO-VNQPRFMTSA-N 1 3 342.399 2.461 20 5 EEBDHO CCOc1cc(N2CCN(CC3CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000339429117 465266104 /nfs/dbraw/zinc/26/61/04/465266104.db2.gz WETUXWPFTJHYGJ-UHFFFAOYSA-N 1 3 348.447 2.115 20 5 EEBDHO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000114198736 462631980 /nfs/dbraw/zinc/63/19/80/462631980.db2.gz ZQCOPPYRWZNTCE-AWEZNQCLSA-N 1 3 334.420 2.115 20 5 EEBDHO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](CN(C)C)C2)cccc1[N+](=O)[O-] ZINC000114198736 462631984 /nfs/dbraw/zinc/63/19/84/462631984.db2.gz ZQCOPPYRWZNTCE-AWEZNQCLSA-N 1 3 334.420 2.115 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000532530740 468122751 /nfs/dbraw/zinc/12/27/51/468122751.db2.gz MHFBCYZADIEQIF-ZIAGYGMSSA-N 1 3 334.420 2.243 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@@H](C)C1 ZINC000532530740 468122753 /nfs/dbraw/zinc/12/27/53/468122753.db2.gz MHFBCYZADIEQIF-ZIAGYGMSSA-N 1 3 334.420 2.243 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1CN ZINC000420336363 467364305 /nfs/dbraw/zinc/36/43/05/467364305.db2.gz MDIGEKOMAMKTMW-DOMZBBRYSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1CN ZINC000420336363 467364308 /nfs/dbraw/zinc/36/43/08/467364308.db2.gz MDIGEKOMAMKTMW-DOMZBBRYSA-N 1 3 334.420 2.291 20 5 EEBDHO CC[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488739 468709516 /nfs/dbraw/zinc/70/95/16/468709516.db2.gz MWPQWJCLTGDGDR-DZGCQCFKSA-N 1 3 334.420 2.291 20 5 EEBDHO CCN1CCN(CCCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602511975 469344799 /nfs/dbraw/zinc/34/47/99/469344799.db2.gz TUXNXTLKIOBHRN-UHFFFAOYSA-N 1 3 334.464 2.145 20 5 EEBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)NC[C@@H]2CCC[NH2+]C2)c1F ZINC001246196988 1310257551 /nfs/dbraw/zinc/25/75/51/1310257551.db2.gz JEVNTCXHLZDBIB-NWDGAFQWSA-N 1 3 325.384 2.263 20 5 EEBDHO Cc1c([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000128064044 292335391 /nfs/dbraw/zinc/33/53/91/292335391.db2.gz XEVJBKMAVLLYHI-GJZGRUSLSA-N 1 3 348.447 2.141 20 5 EEBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152416746 463687996 /nfs/dbraw/zinc/68/79/96/463687996.db2.gz VLWDQKLASGPHHD-CQSZACIVSA-N 1 3 334.420 2.197 20 5 EEBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152416746 463687998 /nfs/dbraw/zinc/68/79/98/463687998.db2.gz VLWDQKLASGPHHD-CQSZACIVSA-N 1 3 334.420 2.197 20 5 EEBDHO C[C@@]1(C[NH3+])CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261733285 463842357 /nfs/dbraw/zinc/84/23/57/463842357.db2.gz JZKTVYSNHSZJTK-KRWDZBQOSA-N 1 3 330.388 2.463 20 5 EEBDHO C[C@@]1(CN)CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261733285 463842364 /nfs/dbraw/zinc/84/23/64/463842364.db2.gz JZKTVYSNHSZJTK-KRWDZBQOSA-N 1 3 330.388 2.463 20 5 EEBDHO C[C@@]1(CN)CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000261733285 463842370 /nfs/dbraw/zinc/84/23/70/463842370.db2.gz JZKTVYSNHSZJTK-KRWDZBQOSA-N 1 3 330.388 2.463 20 5 EEBDHO CC(C)c1ccc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000347084452 466381289 /nfs/dbraw/zinc/38/12/89/466381289.db2.gz ALACJYPJDRFHLW-HNNXBMFYSA-N 1 3 348.447 2.005 20 5 EEBDHO [NH3+]C[C@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420374057 467383621 /nfs/dbraw/zinc/38/36/21/467383621.db2.gz RVAKWXJWVJZMDO-HNNXBMFYSA-N 1 3 334.420 2.421 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430571218 467442844 /nfs/dbraw/zinc/44/28/44/467442844.db2.gz HRFVABZFLOYBGS-KGLIPLIRSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415064956 467479482 /nfs/dbraw/zinc/47/94/82/467479482.db2.gz LUBWTFSMNKOPHR-LRDDRELGSA-N 1 3 334.420 2.419 20 5 EEBDHO COc1cccc(CC2([NH3+])CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998234 803564094 /nfs/dbraw/zinc/56/40/94/803564094.db2.gz KEHDXVNTFUVWFT-SJORKVTESA-N 1 3 347.459 2.476 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420393720 239801214 /nfs/dbraw/zinc/80/12/14/239801214.db2.gz QTZDAONVGVRAPA-CRAIPNDOSA-N 1 3 349.431 2.192 20 5 EEBDHO CCOC(=O)C1([C@@H](C)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000422929794 240296483 /nfs/dbraw/zinc/29/64/83/240296483.db2.gz ABFMKRSJKKXTPS-CYBMUJFWSA-N 1 3 335.404 2.006 20 5 EEBDHO C[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943228 293333414 /nfs/dbraw/zinc/33/34/14/293333414.db2.gz YSZJYQYBCSDHEI-KGLIPLIRSA-N 1 3 348.447 2.329 20 5 EEBDHO CCCN1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602524264 469349005 /nfs/dbraw/zinc/34/90/05/469349005.db2.gz CZIAGGMWQDQSHQ-OAHLLOKOSA-N 1 3 347.463 2.280 20 5 EEBDHO O=[N+]([O-])c1ccc(CCNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000602569316 469365321 /nfs/dbraw/zinc/36/53/21/469365321.db2.gz PSCLFLBDDOJGMN-RBUKOAKNSA-N 1 3 347.459 2.495 20 5 EEBDHO [NH3+]C[C@@H]1COc2ccccc2N1c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001171393492 794575147 /nfs/dbraw/zinc/57/51/47/794575147.db2.gz LDSQIUUCLDIKBB-CYBMUJFWSA-N 1 3 326.356 2.056 20 5 EEBDHO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001168992538 803559813 /nfs/dbraw/zinc/55/98/13/803559813.db2.gz KNLASRZRSJVKBW-QZTJIDSGSA-N 1 3 332.448 2.329 20 5 EEBDHO Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000128041455 292335220 /nfs/dbraw/zinc/33/52/20/292335220.db2.gz APUSDRMRUOBGQT-ZBFHGGJFSA-N 1 3 348.447 2.141 20 5 EEBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358225328 466555214 /nfs/dbraw/zinc/55/52/14/466555214.db2.gz COMZCRLGKZVSHM-BBRMVZONSA-N 1 3 339.461 2.122 20 5 EEBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358225328 466555219 /nfs/dbraw/zinc/55/52/19/466555219.db2.gz COMZCRLGKZVSHM-BBRMVZONSA-N 1 3 339.461 2.122 20 5 EEBDHO Cc1c(NC(=O)CCN2CC[C@@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420422311 467404365 /nfs/dbraw/zinc/40/43/65/467404365.db2.gz ZFSRUIKAZMRJJY-OCCSQVGLSA-N 1 3 334.420 2.149 20 5 EEBDHO CCCN(C)CC(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001203437633 1321881250 /nfs/dbraw/zinc/88/12/50/1321881250.db2.gz PDCJQCPGEAQUDI-UHFFFAOYSA-N 1 3 348.447 2.017 20 5 EEBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000923390866 789478714 /nfs/dbraw/zinc/47/87/14/789478714.db2.gz WMGMWSUXLCTPCG-SJLPKXTDSA-N 1 3 333.432 2.340 20 5 EEBDHO C/C(=C/c1cccc([N+](=O)[O-])c1)CNCCC[NH+]1CCC(O)CC1 ZINC000344832970 161249484 /nfs/dbraw/zinc/24/94/84/161249484.db2.gz OLYWXENYKPRKLK-QINSGFPZSA-N 1 3 333.432 2.435 20 5 EEBDHO C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000339440247 465275603 /nfs/dbraw/zinc/27/56/03/465275603.db2.gz PGGZFCZSEUWJKI-GOSISDBHSA-N 1 3 346.431 2.341 20 5 EEBDHO C[N@H+]1CCC[C@@]2(CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000339440247 465275605 /nfs/dbraw/zinc/27/56/05/465275605.db2.gz PGGZFCZSEUWJKI-GOSISDBHSA-N 1 3 346.431 2.341 20 5 EEBDHO Cc1c(CN(C)CCN(C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000177381316 465001033 /nfs/dbraw/zinc/00/10/33/465001033.db2.gz PIIPROORTTUNKU-UHFFFAOYSA-N 1 3 334.464 2.361 20 5 EEBDHO COC[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1 ZINC000423412837 466743261 /nfs/dbraw/zinc/74/32/61/466743261.db2.gz IUIHIHFNDLJFQF-FUHWJXTLSA-N 1 3 333.432 2.274 20 5 EEBDHO CCN1CCN([C@H](C)C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873012092 1198473710 /nfs/dbraw/zinc/47/37/10/1198473710.db2.gz MOGLECFLMBXQGD-OAHLLOKOSA-N 1 3 334.464 2.327 20 5 EEBDHO COc1cc(N2CCC([N@@H+]3C[C@H](C)[C@H](CN)C3)CC2)ccc1[N+](=O)[O-] ZINC001246538591 1310334833 /nfs/dbraw/zinc/33/48/33/1310334833.db2.gz CYOSSGKXFRYUBA-UONOGXRCSA-N 1 3 348.447 2.099 20 5 EEBDHO COc1cc(N2CCC([N@H+]3C[C@H](C)[C@H](CN)C3)CC2)ccc1[N+](=O)[O-] ZINC001246538591 1310334846 /nfs/dbraw/zinc/33/48/46/1310334846.db2.gz CYOSSGKXFRYUBA-UONOGXRCSA-N 1 3 348.447 2.099 20 5 EEBDHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422632971 240167218 /nfs/dbraw/zinc/16/72/18/240167218.db2.gz HMPXUCAXSLCKKI-RDBSUJKOSA-N 1 3 334.420 2.229 20 5 EEBDHO Cc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000289900649 275159932 /nfs/dbraw/zinc/15/99/32/275159932.db2.gz UHTNXOUIPIBQIU-UHFFFAOYSA-N 1 3 334.464 2.361 20 5 EEBDHO [NH3+][C@@H]1CC[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000351498812 465186924 /nfs/dbraw/zinc/18/69/24/465186924.db2.gz VWAJWBVEBNRBLO-CWRNSKLLSA-N 1 3 342.399 2.461 20 5 EEBDHO CN(C)CCOc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602601303 469379603 /nfs/dbraw/zinc/37/96/03/469379603.db2.gz KITYGGQFCJHVJP-UHFFFAOYSA-N 1 3 344.415 2.263 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CCN(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314488 1200392532 /nfs/dbraw/zinc/39/25/32/1200392532.db2.gz PFWQNTGSULMFJB-UHFFFAOYSA-N 1 3 331.420 2.293 20 5 EEBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000866261442 1201479197 /nfs/dbraw/zinc/47/91/97/1201479197.db2.gz TWIGDAVPOLVMIX-KCXAZCMYSA-N 1 3 337.395 2.118 20 5 EEBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000866261442 1201479199 /nfs/dbraw/zinc/47/91/99/1201479199.db2.gz TWIGDAVPOLVMIX-KCXAZCMYSA-N 1 3 337.395 2.118 20 5 EEBDHO CC(C)N1CCN(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234610 797312432 /nfs/dbraw/zinc/31/24/32/797312432.db2.gz PRGQHDGXCXLRGW-MRXNPFEDSA-N 1 3 334.464 2.141 20 5 EEBDHO [NH3+]C[C@H]1CC[C@H](CNCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591281787 468438701 /nfs/dbraw/zinc/43/87/01/468438701.db2.gz VTRSBNDIRGJVSK-JOCQHMNTSA-N 1 3 335.404 2.221 20 5 EEBDHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592471162 468705881 /nfs/dbraw/zinc/70/58/81/468705881.db2.gz DIOUVAPZXOCLLH-UHFFFAOYSA-N 1 3 332.404 2.140 20 5 EEBDHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592471162 468705885 /nfs/dbraw/zinc/70/58/85/468705885.db2.gz DIOUVAPZXOCLLH-UHFFFAOYSA-N 1 3 332.404 2.140 20 5 EEBDHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000592471162 468705887 /nfs/dbraw/zinc/70/58/87/468705887.db2.gz DIOUVAPZXOCLLH-UHFFFAOYSA-N 1 3 332.404 2.140 20 5 EEBDHO COc1cccc(CC2([NH3+])CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998231 803564011 /nfs/dbraw/zinc/56/40/11/803564011.db2.gz KEHDXVNTFUVWFT-DLBZAZTESA-N 1 3 347.459 2.476 20 5 EEBDHO C[C@H]1C[C@@H](C[NH3+])CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000442780924 242112993 /nfs/dbraw/zinc/11/29/93/242112993.db2.gz OMHOXESJCFJBSA-STQMWFEESA-N 1 3 330.388 2.461 20 5 EEBDHO Cc1c([C@@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000128063790 292335543 /nfs/dbraw/zinc/33/55/43/292335543.db2.gz XEVJBKMAVLLYHI-CABCVRRESA-N 1 3 348.447 2.141 20 5 EEBDHO COc1ccc(OCCN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420338435 467365706 /nfs/dbraw/zinc/36/57/06/467365706.db2.gz XZDGFKQYICAKPT-HUUCEWRRSA-N 1 3 349.431 2.304 20 5 EEBDHO CCN(CCn1ccc([N+](=O)[O-])n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599662013 469330429 /nfs/dbraw/zinc/33/04/29/469330429.db2.gz VXDDBGMHKQHOOX-UHFFFAOYSA-N 1 3 331.420 2.375 20 5 EEBDHO CSc1ccc([N+](=O)[O-])cc1[C@H](C)NCC1(O)CC[NH+](C)CC1 ZINC000872038944 1198033654 /nfs/dbraw/zinc/03/36/54/1198033654.db2.gz PWAWBMWJIXZTKR-LBPRGKRZSA-N 1 3 339.461 2.424 20 5 EEBDHO N[C@H]1CC[N@@H+](C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260238 1319119471 /nfs/dbraw/zinc/11/94/71/1319119471.db2.gz YZJFMGNFRIKHKR-ZDUSSCGKSA-N 1 3 341.415 2.145 20 5 EEBDHO N[C@H]1CC[N@H+](C2CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1 ZINC001158260238 1319119475 /nfs/dbraw/zinc/11/94/75/1319119475.db2.gz YZJFMGNFRIKHKR-ZDUSSCGKSA-N 1 3 341.415 2.145 20 5 EEBDHO CC(C)(C(=O)NCCNCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC001127317267 795357395 /nfs/dbraw/zinc/35/73/95/795357395.db2.gz MKBQFOQQPPQXGY-UHFFFAOYSA-N 1 3 348.447 2.065 20 5 EEBDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349035609 285250843 /nfs/dbraw/zinc/25/08/43/285250843.db2.gz KFZCSGKVDMKCNS-GOSISDBHSA-N 1 3 334.464 2.443 20 5 EEBDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000349035609 285250846 /nfs/dbraw/zinc/25/08/46/285250846.db2.gz KFZCSGKVDMKCNS-GOSISDBHSA-N 1 3 334.464 2.443 20 5 EEBDHO O=[N+]([O-])c1ccn(CCN2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121802012 292268344 /nfs/dbraw/zinc/26/83/44/292268344.db2.gz WJCRSKUJCFNFOE-UHFFFAOYSA-N 1 3 335.452 2.379 20 5 EEBDHO CCN1CCN(CCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449222247 315435445 /nfs/dbraw/zinc/43/54/45/315435445.db2.gz VWYBCOXCWOPOEB-MRXNPFEDSA-N 1 3 334.464 2.143 20 5 EEBDHO CC[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488743 468709966 /nfs/dbraw/zinc/70/99/66/468709966.db2.gz MWPQWJCLTGDGDR-UKRRQHHQSA-N 1 3 334.420 2.291 20 5 EEBDHO CC(C)N1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602656825 468991377 /nfs/dbraw/zinc/99/13/77/468991377.db2.gz OHUGAYAWRUWAQR-OAHLLOKOSA-N 1 3 347.463 2.279 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593737671 469117673 /nfs/dbraw/zinc/11/76/73/469117673.db2.gz TVQHHFACNIQMLN-RKVPGOIHSA-N 1 3 349.431 2.192 20 5 EEBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC[C@H](C)NC2)c1F ZINC001246084597 1310232936 /nfs/dbraw/zinc/23/29/36/1310232936.db2.gz KUXBLVULAFIINN-TUAOUCFPSA-N 1 3 325.384 2.404 20 5 EEBDHO C[C@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843353056 1315897500 /nfs/dbraw/zinc/89/75/00/1315897500.db2.gz AMOVQDRLJPNBTM-NWDGAFQWSA-N 1 3 338.383 2.122 20 5 EEBDHO CCOC(=O)C1([C@H](C)NCc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC000423072513 240350542 /nfs/dbraw/zinc/35/05/42/240350542.db2.gz JNCWXNKWQNZGJV-AWEZNQCLSA-N 1 3 349.431 2.314 20 5 EEBDHO COc1ccc(OCCN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420338437 467366007 /nfs/dbraw/zinc/36/60/07/467366007.db2.gz XZDGFKQYICAKPT-LSDHHAIUSA-N 1 3 349.431 2.304 20 5 EEBDHO Cc1c(NC(=O)CCN2CC[C@H](C)[C@@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420422308 467402924 /nfs/dbraw/zinc/40/29/24/467402924.db2.gz ZFSRUIKAZMRJJY-JSGCOSHPSA-N 1 3 334.420 2.149 20 5 EEBDHO O=[N+]([O-])c1ccc(N[C@H]2CCN(CCCC3CC[NH2+]CC3)C2)nc1 ZINC000592984985 468834602 /nfs/dbraw/zinc/83/46/02/468834602.db2.gz YMSFMAGDEZOFCH-HNNXBMFYSA-N 1 3 333.436 2.256 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593737663 469118144 /nfs/dbraw/zinc/11/81/44/469118144.db2.gz SPXOOSOZFOKQCT-KSSFIOAISA-N 1 3 346.431 2.293 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593737663 469118150 /nfs/dbraw/zinc/11/81/50/469118150.db2.gz SPXOOSOZFOKQCT-KSSFIOAISA-N 1 3 346.431 2.293 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593737663 469118156 /nfs/dbraw/zinc/11/81/56/469118156.db2.gz SPXOOSOZFOKQCT-KSSFIOAISA-N 1 3 346.431 2.293 20 5 EEBDHO O=C(CCC[NH+]1CCCCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001151354994 801740858 /nfs/dbraw/zinc/74/08/58/801740858.db2.gz VZBBUBWRTYPJLH-UHFFFAOYSA-N 1 3 348.447 2.067 20 5 EEBDHO CCN1CCN([C@@H](C)C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464564 320028142 /nfs/dbraw/zinc/02/81/42/320028142.db2.gz MTBXKOIPVCJZET-WMLDXEAASA-N 1 3 332.448 2.198 20 5 EEBDHO Cc1c(NC(=O)CCN(C2CC2)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000592471211 468705528 /nfs/dbraw/zinc/70/55/28/468705528.db2.gz KVWULRZFYXGQSX-UHFFFAOYSA-N 1 3 346.431 2.448 20 5 EEBDHO Cc1c(NC(=O)CC[N@H+](C2CC2)C2CCNCC2)cccc1[N+](=O)[O-] ZINC000592471211 468705535 /nfs/dbraw/zinc/70/55/35/468705535.db2.gz KVWULRZFYXGQSX-UHFFFAOYSA-N 1 3 346.431 2.448 20 5 EEBDHO Cc1c(NC(=O)CC[N@@H+](C2CC2)C2CCNCC2)cccc1[N+](=O)[O-] ZINC000592471211 468705538 /nfs/dbraw/zinc/70/55/38/468705538.db2.gz KVWULRZFYXGQSX-UHFFFAOYSA-N 1 3 346.431 2.448 20 5 EEBDHO CN1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595505364 468881015 /nfs/dbraw/zinc/88/10/15/468881015.db2.gz SMKZIDHWLAFJDW-GOSISDBHSA-N 1 3 346.431 2.341 20 5 EEBDHO CN1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595505364 468881018 /nfs/dbraw/zinc/88/10/18/468881018.db2.gz SMKZIDHWLAFJDW-GOSISDBHSA-N 1 3 346.431 2.341 20 5 EEBDHO [NH3+]CC[C@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382980 1315904270 /nfs/dbraw/zinc/90/42/70/1315904270.db2.gz BZZUOWGPOMDHFD-GFCCVEGCSA-N 1 3 338.383 2.266 20 5 EEBDHO C[NH+](C)CCOc1cc(N[C@H]2CN3CCC2CC3)ccc1[N+](=O)[O-] ZINC001163394039 1321114480 /nfs/dbraw/zinc/11/44/80/1321114480.db2.gz BXSYMBRCQHHHOE-HNNXBMFYSA-N 1 3 334.420 2.041 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000114199497 462632054 /nfs/dbraw/zinc/63/20/54/462632054.db2.gz SLMRBKZQEWRKPP-AWEZNQCLSA-N 1 3 334.420 2.115 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000114199497 462632056 /nfs/dbraw/zinc/63/20/56/462632056.db2.gz SLMRBKZQEWRKPP-AWEZNQCLSA-N 1 3 334.420 2.115 20 5 EEBDHO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000072597163 463524239 /nfs/dbraw/zinc/52/42/39/463524239.db2.gz IMCZRDMUULOULZ-CQSZACIVSA-N 1 3 348.447 2.046 20 5 EEBDHO C[NH2+]CCC1CCN(CCOc2ccc(OC)cc2[N+](=O)[O-])CC1 ZINC000262015987 463925395 /nfs/dbraw/zinc/92/53/95/463925395.db2.gz WEJKJVLOLAXTHJ-UHFFFAOYSA-N 1 3 337.420 2.304 20 5 EEBDHO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000420307890 467347671 /nfs/dbraw/zinc/34/76/71/467347671.db2.gz JCGGSHBKNNBDNV-CQSZACIVSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCNCC1 ZINC000420307890 467347675 /nfs/dbraw/zinc/34/76/75/467347675.db2.gz JCGGSHBKNNBDNV-CQSZACIVSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CCCNCC1 ZINC000420307890 467347677 /nfs/dbraw/zinc/34/76/77/467347677.db2.gz JCGGSHBKNNBDNV-CQSZACIVSA-N 1 3 334.420 2.387 20 5 EEBDHO [NH3+]C[C@H](NCCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420381103 467386323 /nfs/dbraw/zinc/38/63/23/467386323.db2.gz YVBBIGBIAYHWOW-INIZCTEOSA-N 1 3 334.420 2.421 20 5 EEBDHO CN(C)CCN1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594495437 468609346 /nfs/dbraw/zinc/60/93/46/468609346.db2.gz XQDMVTFWXBYRQQ-QGZVFWFLSA-N 1 3 332.448 2.198 20 5 EEBDHO CCC[N@@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584585582 468903550 /nfs/dbraw/zinc/90/35/50/468903550.db2.gz LOEAUEGICDKVSR-CQSZACIVSA-N 1 3 334.420 2.245 20 5 EEBDHO CCC[N@H+]1CC[C@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584585582 468903552 /nfs/dbraw/zinc/90/35/52/468903552.db2.gz LOEAUEGICDKVSR-CQSZACIVSA-N 1 3 334.420 2.245 20 5 EEBDHO CCCN1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000584585582 468903555 /nfs/dbraw/zinc/90/35/55/468903555.db2.gz LOEAUEGICDKVSR-CQSZACIVSA-N 1 3 334.420 2.245 20 5 EEBDHO COc1cc(CNC[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000415018868 533884133 /nfs/dbraw/zinc/88/41/33/533884133.db2.gz CYUAFQXDUHKSAK-JOCQHMNTSA-N 1 3 337.420 2.467 20 5 EEBDHO CC(C)[C@H]([NH3+])CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843355358 1315898902 /nfs/dbraw/zinc/89/89/02/1315898902.db2.gz YGOAKXRQWMVYDF-CQSZACIVSA-N 1 3 340.399 2.368 20 5 EEBDHO CCN(CC)CCNC(=[NH2+])Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC001163128715 1321045404 /nfs/dbraw/zinc/04/54/04/1321045404.db2.gz BOXLAWCIPXMMRH-UHFFFAOYSA-N 1 3 330.392 2.421 20 5 EEBDHO C[C@@H]1C[C@@H](C)N(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422632970 240167421 /nfs/dbraw/zinc/16/74/21/240167421.db2.gz HMPXUCAXSLCKKI-MGPQQGTHSA-N 1 3 334.420 2.229 20 5 EEBDHO CN1CCN(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC000580581203 324093055 /nfs/dbraw/zinc/09/30/55/324093055.db2.gz GZKSQRHNANLXLI-INIZCTEOSA-N 1 3 332.448 2.198 20 5 EEBDHO CC[C@@H]([NH2+]CCCN1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000361184472 465821557 /nfs/dbraw/zinc/82/15/57/465821557.db2.gz QRNYEUDOSSOSOD-NVXWUHKLSA-N 1 3 348.447 2.223 20 5 EEBDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000349061806 465945114 /nfs/dbraw/zinc/94/51/14/465945114.db2.gz KHPSXOAVQGAKBK-SFHVURJKSA-N 1 3 334.464 2.443 20 5 EEBDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000349061806 465945122 /nfs/dbraw/zinc/94/51/22/465945122.db2.gz KHPSXOAVQGAKBK-SFHVURJKSA-N 1 3 334.464 2.443 20 5 EEBDHO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000367026823 466080227 /nfs/dbraw/zinc/08/02/27/466080227.db2.gz DDCPDWHIKUAGFS-APWZRJJASA-N 1 3 346.475 2.095 20 5 EEBDHO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000420317977 467353821 /nfs/dbraw/zinc/35/38/21/467353821.db2.gz VFWFJPDXVHPSQJ-HNNXBMFYSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCNCC1 ZINC000420317977 467353822 /nfs/dbraw/zinc/35/38/22/467353822.db2.gz VFWFJPDXVHPSQJ-HNNXBMFYSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCNCC1 ZINC000420317977 467353826 /nfs/dbraw/zinc/35/38/26/467353826.db2.gz VFWFJPDXVHPSQJ-HNNXBMFYSA-N 1 3 334.420 2.387 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C[NH3+])C1CCCC1 ZINC000415064957 467479655 /nfs/dbraw/zinc/47/96/55/467479655.db2.gz LUBWTFSMNKOPHR-MLGOLLRUSA-N 1 3 334.420 2.419 20 5 EEBDHO CC(C)N1CCC(O)(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449195057 467622951 /nfs/dbraw/zinc/62/29/51/467622951.db2.gz VTRUSCGIZZLBNX-HNNXBMFYSA-N 1 3 335.448 2.351 20 5 EEBDHO CCOc1cc(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001578166099 1344243419 /nfs/dbraw/zinc/24/34/19/1344243419.db2.gz JWTMLNRHWADHDS-HNNXBMFYSA-N 1 3 349.431 2.323 20 5 EEBDHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420385261 313947146 /nfs/dbraw/zinc/94/71/46/313947146.db2.gz SQFTXYAIUODQSZ-ZWKOTPCHSA-N 1 3 333.432 2.356 20 5 EEBDHO CCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420317978 467354023 /nfs/dbraw/zinc/35/40/23/467354023.db2.gz VFWFJPDXVHPSQJ-OAHLLOKOSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNCC1 ZINC000420317978 467354024 /nfs/dbraw/zinc/35/40/24/467354024.db2.gz VFWFJPDXVHPSQJ-OAHLLOKOSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCNCC1 ZINC000420317978 467354025 /nfs/dbraw/zinc/35/40/25/467354025.db2.gz VFWFJPDXVHPSQJ-OAHLLOKOSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488742 468709242 /nfs/dbraw/zinc/70/92/42/468709242.db2.gz MWPQWJCLTGDGDR-HIFRSBDPSA-N 1 3 334.420 2.291 20 5 EEBDHO CN1CCN(CCCC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761522629 577685370 /nfs/dbraw/zinc/68/53/70/577685370.db2.gz SUNBLDVDIJGCRK-UHFFFAOYSA-N 1 3 340.855 2.365 20 5 EEBDHO C[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558865 1277266930 /nfs/dbraw/zinc/26/69/30/1277266930.db2.gz UXOYHZIJMIIFIS-SWLSCSKDSA-N 1 3 334.420 2.081 20 5 EEBDHO CCN(CC)CC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC001203004885 1314814524 /nfs/dbraw/zinc/81/45/24/1314814524.db2.gz JWOHNKWADPDAKH-UHFFFAOYSA-N 1 3 348.447 2.017 20 5 EEBDHO COc1cc(N2CCC([N@H+](C)C[C@H](C)CN)CC2)ccc1[N+](=O)[O-] ZINC001256101676 1318647728 /nfs/dbraw/zinc/64/77/28/1318647728.db2.gz ONNIBZRROXFVHM-CYBMUJFWSA-N 1 3 336.436 2.099 20 5 EEBDHO COc1cc(N2CCC([N@@H+](C)C[C@H](C)CN)CC2)ccc1[N+](=O)[O-] ZINC001256101676 1318647738 /nfs/dbraw/zinc/64/77/38/1318647738.db2.gz ONNIBZRROXFVHM-CYBMUJFWSA-N 1 3 336.436 2.099 20 5 EEBDHO COc1ccc(CC2([NH3+])CCN([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997050 803562499 /nfs/dbraw/zinc/56/24/99/803562499.db2.gz BGVFFIJTDVRCGG-DLBZAZTESA-N 1 3 347.459 2.476 20 5 EEBDHO [NH3+]Cc1ccc2c(n1)N(c1cc3c(cc1[N+](=O)[O-])CNC3)CCC2 ZINC001169592180 803864276 /nfs/dbraw/zinc/86/42/76/803864276.db2.gz IMYCNBUDWWCCQB-UHFFFAOYSA-N 1 3 325.372 2.136 20 5 EEBDHO C[C@@H]1CC2(CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424283306 467020973 /nfs/dbraw/zinc/02/09/73/467020973.db2.gz BHDBVJDMHUAMAJ-CQSZACIVSA-N 1 3 346.431 2.022 20 5 EEBDHO CCCN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000420311027 467349723 /nfs/dbraw/zinc/34/97/23/467349723.db2.gz GNYPRGYEBGHIMQ-UHFFFAOYSA-N 1 3 334.420 2.387 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420386657 467389166 /nfs/dbraw/zinc/38/91/66/467389166.db2.gz JDWFRXRPCRKZTO-QAPCUYQASA-N 1 3 349.431 2.192 20 5 EEBDHO O=C(CCN(C1CC1)C1CC[NH2+]CC1)Nc1ccccc1[N+](=O)[O-] ZINC000592471226 468705158 /nfs/dbraw/zinc/70/51/58/468705158.db2.gz NICXHJYBMSNHQU-UHFFFAOYSA-N 1 3 332.404 2.140 20 5 EEBDHO O=C(CC[N@H+](C1CC1)C1CCNCC1)Nc1ccccc1[N+](=O)[O-] ZINC000592471226 468705162 /nfs/dbraw/zinc/70/51/62/468705162.db2.gz NICXHJYBMSNHQU-UHFFFAOYSA-N 1 3 332.404 2.140 20 5 EEBDHO O=C(CC[N@@H+](C1CC1)C1CCNCC1)Nc1ccccc1[N+](=O)[O-] ZINC000592471226 468705167 /nfs/dbraw/zinc/70/51/67/468705167.db2.gz NICXHJYBMSNHQU-UHFFFAOYSA-N 1 3 332.404 2.140 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593735988 469116218 /nfs/dbraw/zinc/11/62/18/469116218.db2.gz CJLKDDBTWNDLHH-RKVPGOIHSA-N 1 3 349.431 2.192 20 5 EEBDHO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)CN1CCCC1 ZINC000602519077 469347470 /nfs/dbraw/zinc/34/74/70/469347470.db2.gz VFNOEVDJVPUQFV-HNNXBMFYSA-N 1 3 347.463 2.280 20 5 EEBDHO COc1cc(N2CCC(N3CCC[C@@H]([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001246539922 1310335078 /nfs/dbraw/zinc/33/50/78/1310335078.db2.gz DPMGZIVEFUJZAF-CQSZACIVSA-N 1 3 348.447 2.385 20 5 EEBDHO C[C@H]([NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285460609 464572837 /nfs/dbraw/zinc/57/28/37/464572837.db2.gz ZVJIKRYOQDXCTJ-XZOAIXRZSA-N 1 3 348.447 2.205 20 5 EEBDHO O=C(CCNC1CC[NH+](CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000570154512 468596229 /nfs/dbraw/zinc/59/62/29/468596229.db2.gz CMZNLWPTQFWQKB-UHFFFAOYSA-N 1 3 346.431 2.387 20 5 EEBDHO O=C(CC[NH2+]C1CCN(CC2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000570154512 468596232 /nfs/dbraw/zinc/59/62/32/468596232.db2.gz CMZNLWPTQFWQKB-UHFFFAOYSA-N 1 3 346.431 2.387 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593736134 469116064 /nfs/dbraw/zinc/11/60/64/469116064.db2.gz GYCFPVBEHYKKLW-HDMKZQKVSA-N 1 3 349.431 2.192 20 5 EEBDHO CCN1CCN(CCC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873011956 1198473781 /nfs/dbraw/zinc/47/37/81/1198473781.db2.gz LNAJIQBBOVHVOI-UHFFFAOYSA-N 1 3 334.464 2.329 20 5 EEBDHO Cc1cc(NC[C@H](C)N2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083849 463317788 /nfs/dbraw/zinc/31/77/88/463317788.db2.gz WYWXLKCEEVFBMP-AWEZNQCLSA-N 1 3 343.431 2.499 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000423338672 466722501 /nfs/dbraw/zinc/72/25/01/466722501.db2.gz UTRQCUNOJMMANW-CXAGYDPISA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423338672 466722504 /nfs/dbraw/zinc/72/25/04/466722504.db2.gz UTRQCUNOJMMANW-CXAGYDPISA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420418654 467402220 /nfs/dbraw/zinc/40/22/20/467402220.db2.gz XCMJOMDSNGFMLT-JSGCOSHPSA-N 1 3 334.420 2.149 20 5 EEBDHO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000592437213 468698156 /nfs/dbraw/zinc/69/81/56/468698156.db2.gz CYFOTDULMSGWSB-KGLIPLIRSA-N 1 3 347.415 2.188 20 5 EEBDHO CN1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595505365 468880326 /nfs/dbraw/zinc/88/03/26/468880326.db2.gz SMKZIDHWLAFJDW-SFHVURJKSA-N 1 3 346.431 2.341 20 5 EEBDHO CN1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2 ZINC000595505365 468880330 /nfs/dbraw/zinc/88/03/30/468880330.db2.gz SMKZIDHWLAFJDW-SFHVURJKSA-N 1 3 346.431 2.341 20 5 EEBDHO C[C@@H]1C[NH+](CCOc2ccc(CCNCC[N+](=O)[O-])cc2)C[C@H]1C ZINC000905204229 694568275 /nfs/dbraw/zinc/56/82/75/694568275.db2.gz ZAFOWJPUTNTMPB-HZPDHXFCSA-N 1 3 335.448 2.062 20 5 EEBDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337268077 465275946 /nfs/dbraw/zinc/27/59/46/465275946.db2.gz JUGOGUJNGABNKG-UHFFFAOYSA-N 1 3 334.420 2.341 20 5 EEBDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000337268077 465275950 /nfs/dbraw/zinc/27/59/50/465275950.db2.gz JUGOGUJNGABNKG-UHFFFAOYSA-N 1 3 334.420 2.341 20 5 EEBDHO CCC[NH+]1CCC(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000554526327 468414144 /nfs/dbraw/zinc/41/41/44/468414144.db2.gz SHNHGOYGFDSXQB-UHFFFAOYSA-N 1 3 334.420 2.387 20 5 EEBDHO COc1ccc(OCCN2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])c1 ZINC000420335680 467363259 /nfs/dbraw/zinc/36/32/59/467363259.db2.gz KVBXELSMFKVACV-MRXNPFEDSA-N 1 3 349.431 2.446 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@H]1CN ZINC000420336366 467364509 /nfs/dbraw/zinc/36/45/09/467364509.db2.gz MDIGEKOMAMKTMW-WFASDCNBSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@H]1CN ZINC000420336366 467364510 /nfs/dbraw/zinc/36/45/10/467364510.db2.gz MDIGEKOMAMKTMW-WFASDCNBSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420414689 467400107 /nfs/dbraw/zinc/40/01/07/467400107.db2.gz USFYOCHDYWIHGR-JSGCOSHPSA-N 1 3 334.420 2.149 20 5 EEBDHO Cc1c(NC(=O)CCN2CCC[C@@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430553994 467438073 /nfs/dbraw/zinc/43/80/73/467438073.db2.gz LYZOGDYPWHWDQN-ZIAGYGMSSA-N 1 3 334.420 2.291 20 5 EEBDHO CN1CCC[N@H+](CCCNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000740003940 578076942 /nfs/dbraw/zinc/07/69/42/578076942.db2.gz DQAAPYFQPKGVKI-UHFFFAOYSA-N 1 3 340.855 2.365 20 5 EEBDHO CN1CCC[N@@H+](CCCNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000740003940 578076943 /nfs/dbraw/zinc/07/69/43/578076943.db2.gz DQAAPYFQPKGVKI-UHFFFAOYSA-N 1 3 340.855 2.365 20 5 EEBDHO C[N@@H+]1CCCN(CCCNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000740003940 578076944 /nfs/dbraw/zinc/07/69/44/578076944.db2.gz DQAAPYFQPKGVKI-UHFFFAOYSA-N 1 3 340.855 2.365 20 5 EEBDHO C[N@H+]1CCCN(CCCNCc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000740003940 578076945 /nfs/dbraw/zinc/07/69/45/578076945.db2.gz DQAAPYFQPKGVKI-UHFFFAOYSA-N 1 3 340.855 2.365 20 5 EEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001254562355 1318122071 /nfs/dbraw/zinc/12/20/71/1318122071.db2.gz KVFJLTJQHVHYBA-MRXNPFEDSA-N 1 3 346.475 2.238 20 5 EEBDHO C[C@@H]1CCC[N@H+](CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000554527279 468415067 /nfs/dbraw/zinc/41/50/67/468415067.db2.gz ZRWFPZGSLRFBSY-CQSZACIVSA-N 1 3 334.420 2.245 20 5 EEBDHO C[C@@H]1CCC[N@@H+](CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000554527279 468415073 /nfs/dbraw/zinc/41/50/73/468415073.db2.gz ZRWFPZGSLRFBSY-CQSZACIVSA-N 1 3 334.420 2.245 20 5 EEBDHO CN1CCN(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000282511416 464847242 /nfs/dbraw/zinc/84/72/42/464847242.db2.gz XLVHKFSCZDHVNM-SOFGYWHQSA-N 1 3 332.448 2.224 20 5 EEBDHO COc1ccc(OCCN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420338433 467365566 /nfs/dbraw/zinc/36/55/66/467365566.db2.gz XZDGFKQYICAKPT-GJZGRUSLSA-N 1 3 349.431 2.304 20 5 EEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000449191567 467622501 /nfs/dbraw/zinc/62/25/01/467622501.db2.gz PKKIMMZNFARVTM-NIKGAXFTSA-N 1 3 347.459 2.493 20 5 EEBDHO CCOC(=O)C1([C@H](C)NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000422929795 240295297 /nfs/dbraw/zinc/29/52/97/240295297.db2.gz ABFMKRSJKKXTPS-ZDUSSCGKSA-N 1 3 335.404 2.006 20 5 EEBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000118843071 221195351 /nfs/dbraw/zinc/19/53/51/221195351.db2.gz HXRNXEWEIIPUDB-CQSZACIVSA-N 1 3 334.420 2.197 20 5 EEBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000118843071 221195353 /nfs/dbraw/zinc/19/53/53/221195353.db2.gz HXRNXEWEIIPUDB-CQSZACIVSA-N 1 3 334.420 2.197 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000352510642 162164619 /nfs/dbraw/zinc/16/46/19/162164619.db2.gz OHGSEDPQQBBDGE-AWEZNQCLSA-N 1 3 334.420 2.435 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423338673 466722284 /nfs/dbraw/zinc/72/22/84/466722284.db2.gz UTRQCUNOJMMANW-DYVFJYSZSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000423338673 466722287 /nfs/dbraw/zinc/72/22/87/466722287.db2.gz UTRQCUNOJMMANW-DYVFJYSZSA-N 1 3 334.420 2.291 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H](C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420382082 467387277 /nfs/dbraw/zinc/38/72/77/467387277.db2.gz DKCXUGVSCQNGRX-AEFFLSMTSA-N 1 3 333.432 2.356 20 5 EEBDHO Cc1c(NC(=O)CCN(C)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000435621117 467482676 /nfs/dbraw/zinc/48/26/76/467482676.db2.gz IWQCTOZFKNBCEK-CQSZACIVSA-N 1 3 334.420 2.306 20 5 EEBDHO O=[N+]([O-])c1cc(F)c(N2CCC([NH2+]C3CCNCC3)CC2)c(F)c1 ZINC001246072913 1310230767 /nfs/dbraw/zinc/23/07/67/1310230767.db2.gz NASNAVDGALUFGJ-UHFFFAOYSA-N 1 3 340.374 2.183 20 5 EEBDHO COc1cc(N2CCC([N@@H+]3CC[C@@H](C)[C@@H](N)C3)CC2)ccc1[N+](=O)[O-] ZINC001246570665 1310345709 /nfs/dbraw/zinc/34/57/09/1310345709.db2.gz RZEUIEVIIMUGHY-CJNGLKHVSA-N 1 3 348.447 2.241 20 5 EEBDHO COc1cc(N2CCC([N@H+]3CC[C@@H](C)[C@@H](N)C3)CC2)ccc1[N+](=O)[O-] ZINC001246570665 1310345715 /nfs/dbraw/zinc/34/57/15/1310345715.db2.gz RZEUIEVIIMUGHY-CJNGLKHVSA-N 1 3 348.447 2.241 20 5 EEBDHO CCN(C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858166 216319198 /nfs/dbraw/zinc/31/91/98/216319198.db2.gz YZODSOFTEWRVTB-CQSZACIVSA-N 1 3 334.420 2.197 20 5 EEBDHO CCN(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000072858166 216319201 /nfs/dbraw/zinc/31/92/01/216319201.db2.gz YZODSOFTEWRVTB-CQSZACIVSA-N 1 3 334.420 2.197 20 5 EEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000447530346 467587906 /nfs/dbraw/zinc/58/79/06/467587906.db2.gz MIHZBBDMESQZPF-YHUYYLMFSA-N 1 3 333.436 2.491 20 5 EEBDHO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000447530346 467587908 /nfs/dbraw/zinc/58/79/08/467587908.db2.gz MIHZBBDMESQZPF-YHUYYLMFSA-N 1 3 333.436 2.491 20 5 EEBDHO CN(CCc1cccc([N+](=O)[O-])c1)Cc1ccc(N2CC[NH2+]CC2)o1 ZINC001578480922 1403762026 /nfs/dbraw/zinc/76/20/26/1403762026.db2.gz PMKMRZYWPATHQZ-UHFFFAOYSA-N 1 3 344.415 2.272 20 5 EEBDHO C[C@H]([NH3+])[C@H]1COCC[C@@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041482 240339967 /nfs/dbraw/zinc/33/99/67/240339967.db2.gz JCEJBYSJTZHMKQ-GDLCADMTSA-N 1 3 327.812 2.133 20 5 EEBDHO C[C@H](N)[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041482 240339972 /nfs/dbraw/zinc/33/99/72/240339972.db2.gz JCEJBYSJTZHMKQ-GDLCADMTSA-N 1 3 327.812 2.133 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@]1(C)CCC[NH2+]C1 ZINC000414904032 313110898 /nfs/dbraw/zinc/11/08/98/313110898.db2.gz JLORPAWHQAVAFO-SUMWQHHRSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@]1(C)CCCNC1 ZINC000414904032 313110901 /nfs/dbraw/zinc/11/09/01/313110901.db2.gz JLORPAWHQAVAFO-SUMWQHHRSA-N 1 3 334.420 2.291 20 5 EEBDHO CC[C@@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592489558 468710897 /nfs/dbraw/zinc/71/08/97/468710897.db2.gz YSWBPXFAGCUPAD-HIFRSBDPSA-N 1 3 334.420 2.291 20 5 EEBDHO CCOC(=O)C1([C@@H](C)NCc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000422947890 240302362 /nfs/dbraw/zinc/30/23/62/240302362.db2.gz QSACJGXSVBAAQH-CYBMUJFWSA-N 1 3 335.404 2.006 20 5 EEBDHO Cc1c(NC(=O)CCN2CCCC[C@H]2CC[NH3+])cccc1[N+](=O)[O-] ZINC000352477404 162150216 /nfs/dbraw/zinc/15/02/16/162150216.db2.gz LCJSGZWDXOQGSY-AWEZNQCLSA-N 1 3 334.420 2.435 20 5 EEBDHO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]([C@H]3CC[NH2+]C3)C1)OCCO2 ZINC000592437216 468697942 /nfs/dbraw/zinc/69/79/42/468697942.db2.gz CYFOTDULMSGWSB-UONOGXRCSA-N 1 3 347.415 2.188 20 5 EEBDHO C[C@@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730767 469113212 /nfs/dbraw/zinc/11/32/12/469113212.db2.gz FKZDVRCJGJTJFO-HIFRSBDPSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CCN ZINC000593730767 469113216 /nfs/dbraw/zinc/11/32/16/469113216.db2.gz FKZDVRCJGJTJFO-HIFRSBDPSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1CCN ZINC000593730767 469113222 /nfs/dbraw/zinc/11/32/22/469113222.db2.gz FKZDVRCJGJTJFO-HIFRSBDPSA-N 1 3 334.420 2.373 20 5 EEBDHO COc1cc(N2CCC([N@H+](C)C[C@@H](C)CN)CC2)ccc1[N+](=O)[O-] ZINC001256101682 1318647403 /nfs/dbraw/zinc/64/74/03/1318647403.db2.gz ONNIBZRROXFVHM-ZDUSSCGKSA-N 1 3 336.436 2.099 20 5 EEBDHO COc1cc(N2CCC([N@@H+](C)C[C@@H](C)CN)CC2)ccc1[N+](=O)[O-] ZINC001256101682 1318647406 /nfs/dbraw/zinc/64/74/06/1318647406.db2.gz ONNIBZRROXFVHM-ZDUSSCGKSA-N 1 3 336.436 2.099 20 5 EEBDHO O=C(CC[NH+]1CCCCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001176930669 798633902 /nfs/dbraw/zinc/63/39/02/798633902.db2.gz PSLKAYJJDKGLDZ-UHFFFAOYSA-N 1 3 348.447 2.067 20 5 EEBDHO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CCN(Cc3ccncc3)CC2)C1 ZINC001168992541 803559759 /nfs/dbraw/zinc/55/97/59/803559759.db2.gz KNLASRZRSJVKBW-ZWKOTPCHSA-N 1 3 332.448 2.329 20 5 EEBDHO CCC[NH+](CCC)CCN1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169036790 803580918 /nfs/dbraw/zinc/58/09/18/803580918.db2.gz HIFJHNMVJCOXNY-ZWKOTPCHSA-N 1 3 340.512 2.171 20 5 EEBDHO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000374919025 167068965 /nfs/dbraw/zinc/06/89/65/167068965.db2.gz SXMNALPUTWNBLK-RDJZCZTQSA-N 1 3 343.431 2.292 20 5 EEBDHO C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374919025 167068966 /nfs/dbraw/zinc/06/89/66/167068966.db2.gz SXMNALPUTWNBLK-RDJZCZTQSA-N 1 3 343.431 2.292 20 5 EEBDHO C[C@H](NCCn1cc([N+](=O)[O-])cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000374919025 167068969 /nfs/dbraw/zinc/06/89/69/167068969.db2.gz SXMNALPUTWNBLK-RDJZCZTQSA-N 1 3 343.431 2.292 20 5 EEBDHO CC(C)[NH+]1CCC(NCCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000564843921 319116907 /nfs/dbraw/zinc/11/69/07/319116907.db2.gz GXAGWSZQAWZUHG-UHFFFAOYSA-N 1 3 334.420 2.386 20 5 EEBDHO CCN1CCN(CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576886465 320212925 /nfs/dbraw/zinc/21/29/25/320212925.db2.gz LDDHQUDSHPTDJJ-KRWDZBQOSA-N 1 3 332.448 2.199 20 5 EEBDHO CN(CCC[NH+]1CCN(C)CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000182964236 464767747 /nfs/dbraw/zinc/76/77/47/464767747.db2.gz XZLPZGLCEUZUEE-UHFFFAOYSA-N 1 3 340.855 2.318 20 5 EEBDHO [NH3+][C@H]1CCCO[C@H]1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420389341 467390874 /nfs/dbraw/zinc/39/08/74/467390874.db2.gz YCSISCGDQOTQTL-ROUUACIJSA-N 1 3 349.431 2.192 20 5 EEBDHO CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCNCC1 ZINC000431070430 467491913 /nfs/dbraw/zinc/49/19/13/467491913.db2.gz KZOGHOPQMRLLDE-UHFFFAOYSA-N 1 3 337.420 2.446 20 5 EEBDHO CCC[N@@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C1CCNCC1 ZINC000431070430 467491919 /nfs/dbraw/zinc/49/19/19/467491919.db2.gz KZOGHOPQMRLLDE-UHFFFAOYSA-N 1 3 337.420 2.446 20 5 EEBDHO CC[C@H]1CN(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000592489561 468710858 /nfs/dbraw/zinc/71/08/58/468710858.db2.gz YSWBPXFAGCUPAD-ZFWWWQNUSA-N 1 3 334.420 2.291 20 5 EEBDHO CCN(CCn1cc([N+](=O)[O-])cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000599659172 469329279 /nfs/dbraw/zinc/32/92/79/469329279.db2.gz DWGPBWKXNOMPPE-UHFFFAOYSA-N 1 3 331.420 2.375 20 5 EEBDHO CN(CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903758189 1241854515 /nfs/dbraw/zinc/85/45/15/1241854515.db2.gz JIYMDGMMEBRGLZ-INIZCTEOSA-N 1 3 333.432 2.228 20 5 EEBDHO O=[N+]([O-])c1cccc([C@@H](O)CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000923390868 789478836 /nfs/dbraw/zinc/47/88/36/789478836.db2.gz WMGMWSUXLCTPCG-WMZOPIPTSA-N 1 3 333.432 2.340 20 5 EEBDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041484 240340628 /nfs/dbraw/zinc/34/06/28/240340628.db2.gz JCEJBYSJTZHMKQ-ZLKJLUDKSA-N 1 3 327.812 2.133 20 5 EEBDHO C[C@H](N)[C@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041484 240340635 /nfs/dbraw/zinc/34/06/35/240340635.db2.gz JCEJBYSJTZHMKQ-ZLKJLUDKSA-N 1 3 327.812 2.133 20 5 EEBDHO Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000346058068 312271820 /nfs/dbraw/zinc/27/18/20/312271820.db2.gz APUSDRMRUOBGQT-GOEBONIOSA-N 1 3 348.447 2.141 20 5 EEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCN(C)CC1 ZINC000453106657 467460637 /nfs/dbraw/zinc/46/06/37/467460637.db2.gz ZCMOAZFMECBZQQ-MRXNPFEDSA-N 1 3 334.464 2.143 20 5 EEBDHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234609 797312750 /nfs/dbraw/zinc/31/27/50/797312750.db2.gz PRGQHDGXCXLRGW-INIZCTEOSA-N 1 3 334.464 2.141 20 5 EEBDHO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001168997331 803563212 /nfs/dbraw/zinc/56/32/12/803563212.db2.gz YTAAAUYILXFZKY-AEFFLSMTSA-N 1 3 332.448 2.329 20 5 EEBDHO CCC[NH+](CCC)CCN1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169036778 803580027 /nfs/dbraw/zinc/58/00/27/803580027.db2.gz HIFJHNMVJCOXNY-MSOLQXFVSA-N 1 3 340.512 2.171 20 5 EEBDHO COc1ccc(OCC[N@H+](C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000173792208 231035274 /nfs/dbraw/zinc/03/52/74/231035274.db2.gz ZZVXXXAUYDHONR-CQSZACIVSA-N 1 3 337.420 2.256 20 5 EEBDHO COc1ccc(OCC[N@@H+](C)C[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000173792208 231035278 /nfs/dbraw/zinc/03/52/78/231035278.db2.gz ZZVXXXAUYDHONR-CQSZACIVSA-N 1 3 337.420 2.256 20 5 EEBDHO COc1ccc(OCC[N@H+](C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000173792192 231035758 /nfs/dbraw/zinc/03/57/58/231035758.db2.gz ZZVXXXAUYDHONR-AWEZNQCLSA-N 1 3 337.420 2.256 20 5 EEBDHO COc1ccc(OCC[N@@H+](C)C[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1 ZINC000173792192 231035761 /nfs/dbraw/zinc/03/57/61/231035761.db2.gz ZZVXXXAUYDHONR-AWEZNQCLSA-N 1 3 337.420 2.256 20 5 EEBDHO CN(CCc1ccc([N+](=O)[O-])cc1)CC[N@H+](C)C1CCN(C)CC1 ZINC000177386106 465002617 /nfs/dbraw/zinc/00/26/17/465002617.db2.gz RASYGTVTCBJIID-UHFFFAOYSA-N 1 3 334.464 2.095 20 5 EEBDHO CN(CCc1ccc([N+](=O)[O-])cc1)CC[N@@H+](C)C1CCN(C)CC1 ZINC000177386106 465002622 /nfs/dbraw/zinc/00/26/22/465002622.db2.gz RASYGTVTCBJIID-UHFFFAOYSA-N 1 3 334.464 2.095 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420414690 467399864 /nfs/dbraw/zinc/39/98/64/467399864.db2.gz USFYOCHDYWIHGR-OCCSQVGLSA-N 1 3 334.420 2.149 20 5 EEBDHO CCN(CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435630227 467483987 /nfs/dbraw/zinc/48/39/87/467483987.db2.gz WNNOAEUCZDKGOP-CQSZACIVSA-N 1 3 337.420 2.446 20 5 EEBDHO CC[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592489133 468709593 /nfs/dbraw/zinc/70/95/93/468709593.db2.gz RENPHSVPLQATTM-ZIAGYGMSSA-N 1 3 334.420 2.291 20 5 EEBDHO CCC[N@H+](CCN1CCN(CC)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000344161425 161203984 /nfs/dbraw/zinc/20/39/84/161203984.db2.gz YBUNDEYZNBSUFG-UHFFFAOYSA-N 1 3 334.464 2.444 20 5 EEBDHO CCC[N@@H+](CCN1CCN(CC)CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000344161425 161203985 /nfs/dbraw/zinc/20/39/85/161203985.db2.gz YBUNDEYZNBSUFG-UHFFFAOYSA-N 1 3 334.464 2.444 20 5 EEBDHO COc1cc(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000414787169 313089068 /nfs/dbraw/zinc/08/90/68/313089068.db2.gz VEGYVFNINUGTMP-KBPBESRZSA-N 1 3 349.431 2.434 20 5 EEBDHO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000367026826 466080648 /nfs/dbraw/zinc/08/06/48/466080648.db2.gz DDCPDWHIKUAGFS-VQIMIIECSA-N 1 3 346.475 2.095 20 5 EEBDHO Cc1c(NC(=O)CCN[C@H]2CC[NH2+]CC2(C)C)cccc1[N+](=O)[O-] ZINC000420368170 467381466 /nfs/dbraw/zinc/38/14/66/467381466.db2.gz UEEMJBQCWAOTGG-HNNXBMFYSA-N 1 3 334.420 2.210 20 5 EEBDHO Cc1c(NC(=O)CC[NH2+][C@H]2CCNCC2(C)C)cccc1[N+](=O)[O-] ZINC000420368170 467381469 /nfs/dbraw/zinc/38/14/69/467381469.db2.gz UEEMJBQCWAOTGG-HNNXBMFYSA-N 1 3 334.420 2.210 20 5 EEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000449300747 467629547 /nfs/dbraw/zinc/62/95/47/467629547.db2.gz FMECEKCGHDVXLF-OAHLLOKOSA-N 1 3 334.464 2.141 20 5 EEBDHO Cc1nc(CN)ccc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000562960419 469115387 /nfs/dbraw/zinc/11/53/87/469115387.db2.gz UREARYUDJAKRHU-GFCCVEGCSA-N 1 3 330.388 2.487 20 5 EEBDHO C[C@@H]1C[C@H](C)N(CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422633828 240166220 /nfs/dbraw/zinc/16/62/20/240166220.db2.gz ISKUZUNBXZEYCB-HZSPNIEDSA-N 1 3 334.420 2.229 20 5 EEBDHO COC[C@@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1 ZINC000423412839 466743363 /nfs/dbraw/zinc/74/33/63/466743363.db2.gz IUIHIHFNDLJFQF-WMZOPIPTSA-N 1 3 333.432 2.274 20 5 EEBDHO C[C@H]1CC2(CN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424283304 467020805 /nfs/dbraw/zinc/02/08/05/467020805.db2.gz BHDBVJDMHUAMAJ-AWEZNQCLSA-N 1 3 346.431 2.022 20 5 EEBDHO CN1CCN(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(C)C ZINC000799736248 1305396118 /nfs/dbraw/zinc/39/61/18/1305396118.db2.gz JSZMSFSRCFEUTA-UHFFFAOYSA-N 1 3 340.855 2.364 20 5 EEBDHO CCOc1cc(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)ccc1[N+](=O)[O-] ZINC001578166100 1344243327 /nfs/dbraw/zinc/24/33/27/1344243327.db2.gz JWTMLNRHWADHDS-OAHLLOKOSA-N 1 3 349.431 2.323 20 5 EEBDHO Cc1ccc([C@H](C)[NH2+]CCCN2CCC[C@H](C(N)=O)C2)cc1[N+](=O)[O-] ZINC000128041684 292335084 /nfs/dbraw/zinc/33/50/84/292335084.db2.gz APUSDRMRUOBGQT-HOCLYGCPSA-N 1 3 348.447 2.141 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CCCC[C@H]1CC[NH3+] ZINC000352504777 162162994 /nfs/dbraw/zinc/16/29/94/162162994.db2.gz USLLNOQRBSZXSG-AWEZNQCLSA-N 1 3 334.420 2.435 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420364545 467379912 /nfs/dbraw/zinc/37/99/12/467379912.db2.gz PEOIBUIBQYYHOD-OAHLLOKOSA-N 1 3 334.420 2.210 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420364545 467379917 /nfs/dbraw/zinc/37/99/17/467379917.db2.gz PEOIBUIBQYYHOD-OAHLLOKOSA-N 1 3 334.420 2.210 20 5 EEBDHO C[C@H]1C[N@H+](CCOc2ccc(CCNCC[N+](=O)[O-])cc2)C[C@H]1C ZINC000905204230 694568140 /nfs/dbraw/zinc/56/81/40/694568140.db2.gz ZAFOWJPUTNTMPB-IYBDPMFKSA-N 1 3 335.448 2.062 20 5 EEBDHO C[C@H]1C[N@@H+](CCOc2ccc(CCNCC[N+](=O)[O-])cc2)C[C@H]1C ZINC000905204230 694568143 /nfs/dbraw/zinc/56/81/43/694568143.db2.gz ZAFOWJPUTNTMPB-IYBDPMFKSA-N 1 3 335.448 2.062 20 5 EEBDHO CN(C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000877074077 1199858628 /nfs/dbraw/zinc/85/86/28/1199858628.db2.gz ZAUIKVMQFVTYTQ-HOTGVXAUSA-N 1 3 347.463 2.421 20 5 EEBDHO COc1ccc(C[C@H](C)N2CCC(F)(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246626008 1310361031 /nfs/dbraw/zinc/36/10/31/1310361031.db2.gz JBIVGJKNQXUSEZ-LBPRGKRZSA-N 1 3 325.384 2.297 20 5 EEBDHO CC1(C)C[NH2+]CC[C@@H]1NCCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000842475971 1315712714 /nfs/dbraw/zinc/71/27/14/1315712714.db2.gz ZSMIUQUIALGOAF-AWEZNQCLSA-N 1 3 338.383 2.040 20 5 EEBDHO O=C(CCCC[NH+]1CCCC1)NCCNCc1cccc([N+](=O)[O-])c1 ZINC001153309356 1316808310 /nfs/dbraw/zinc/80/83/10/1316808310.db2.gz NWNRNZUHUQKQPG-UHFFFAOYSA-N 1 3 348.447 2.067 20 5 EEBDHO CN1CCC(O)(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000278603352 274381741 /nfs/dbraw/zinc/38/17/41/274381741.db2.gz ATVBJVPYQZDHHK-INIZCTEOSA-N 1 3 333.432 2.364 20 5 EEBDHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000420386658 313948300 /nfs/dbraw/zinc/94/83/00/313948300.db2.gz JDWFRXRPCRKZTO-YJBOKZPZSA-N 1 3 349.431 2.192 20 5 EEBDHO [NH3+][C@@H]1CC[C@H]2CN(CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]12 ZINC000351498814 465187499 /nfs/dbraw/zinc/18/74/99/465187499.db2.gz VWAJWBVEBNRBLO-NUEKZKHPSA-N 1 3 342.399 2.461 20 5 EEBDHO C[C@H]1CC2(CN1Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC[NH2+]CC2 ZINC000591668426 468500253 /nfs/dbraw/zinc/50/02/53/468500253.db2.gz XVPWMQBAADVSCR-ZDUSSCGKSA-N 1 3 347.415 2.330 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435612855 467480599 /nfs/dbraw/zinc/48/05/99/467480599.db2.gz ZOXFRUZMNYAOPA-CQSZACIVSA-N 1 3 334.420 2.306 20 5 EEBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000866261443 1201479168 /nfs/dbraw/zinc/47/91/68/1201479168.db2.gz TWIGDAVPOLVMIX-UHOFOFEASA-N 1 3 337.395 2.118 20 5 EEBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000866261443 1201479172 /nfs/dbraw/zinc/47/91/72/1201479172.db2.gz TWIGDAVPOLVMIX-UHOFOFEASA-N 1 3 337.395 2.118 20 5 EEBDHO C[C@@H]([NH3+])[C@@H]1CCCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000843353058 1315897733 /nfs/dbraw/zinc/89/77/33/1315897733.db2.gz AMOVQDRLJPNBTM-VXGBXAGGSA-N 1 3 338.383 2.122 20 5 EEBDHO C[C@H](CN)C[NH2+]C1CCN(c2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC001173009739 797195558 /nfs/dbraw/zinc/19/55/58/797195558.db2.gz PWHWGDWZNQAUAU-SNVBAGLBSA-N 1 3 328.363 2.026 20 5 EEBDHO [NH3+]C[C@@H]1CCCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430648873 467455632 /nfs/dbraw/zinc/45/56/32/467455632.db2.gz RHOPHCHWENSWEQ-ZDUSSCGKSA-N 1 3 330.388 2.463 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000532530735 468123023 /nfs/dbraw/zinc/12/30/23/468123023.db2.gz MHFBCYZADIEQIF-KBPBESRZSA-N 1 3 334.420 2.243 20 5 EEBDHO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NCC[N@H+]1CC[C@H](C)C1 ZINC000532530735 468123026 /nfs/dbraw/zinc/12/30/26/468123026.db2.gz MHFBCYZADIEQIF-KBPBESRZSA-N 1 3 334.420 2.243 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593737669 469117620 /nfs/dbraw/zinc/11/76/20/469117620.db2.gz TVQHHFACNIQMLN-HDMKZQKVSA-N 1 3 349.431 2.192 20 5 EEBDHO O=[N+]([O-])c1cc2c(cc1NC[C@H]1CCC3(CC[NH2+]CC3)CO1)CNC2 ZINC001162963424 1320998406 /nfs/dbraw/zinc/99/84/06/1320998406.db2.gz SCIBWKGBWHIVNX-OAHLLOKOSA-N 1 3 346.431 2.159 20 5 EEBDHO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174881691 207067963 /nfs/dbraw/zinc/06/79/63/207067963.db2.gz RTHLZPDLZRGPOK-QGZVFWFLSA-N 1 3 343.431 2.245 20 5 EEBDHO C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000174881691 207067967 /nfs/dbraw/zinc/06/79/67/207067967.db2.gz RTHLZPDLZRGPOK-QGZVFWFLSA-N 1 3 343.431 2.245 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414856212 313103713 /nfs/dbraw/zinc/10/37/13/313103713.db2.gz OBPGLXYQISRQBF-MCIONIFRSA-N 1 3 334.420 2.290 20 5 EEBDHO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(CCN(C)C)CC1 ZINC000449072055 315412307 /nfs/dbraw/zinc/41/23/07/315412307.db2.gz DMINUIPYCNPDCH-OAHLLOKOSA-N 1 3 334.464 2.141 20 5 EEBDHO CC(C)c1ccc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1[N+](=O)[O-] ZINC000347084457 466380392 /nfs/dbraw/zinc/38/03/92/466380392.db2.gz ALACJYPJDRFHLW-OAHLLOKOSA-N 1 3 348.447 2.005 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@H]1CC[NH2+]CC1(C)C ZINC000420356295 467376115 /nfs/dbraw/zinc/37/61/15/467376115.db2.gz GAAOZDJAQQAONU-HNNXBMFYSA-N 1 3 334.420 2.210 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCNCC1(C)C ZINC000420356295 467376119 /nfs/dbraw/zinc/37/61/19/467376119.db2.gz GAAOZDJAQQAONU-HNNXBMFYSA-N 1 3 334.420 2.210 20 5 EEBDHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420389342 467390883 /nfs/dbraw/zinc/39/08/83/467390883.db2.gz YCSISCGDQOTQTL-ZWKOTPCHSA-N 1 3 349.431 2.192 20 5 EEBDHO C[NH2+]CC1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000435367960 467463287 /nfs/dbraw/zinc/46/32/87/467463287.db2.gz CJZAVIJGABAUKB-UHFFFAOYSA-N 1 3 343.431 2.427 20 5 EEBDHO CN1CCCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602722848 469033371 /nfs/dbraw/zinc/03/33/71/469033371.db2.gz IFWCMYWPWZTLBV-HNNXBMFYSA-N 1 3 347.463 2.280 20 5 EEBDHO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCNCC1 ZINC001577711250 1403670337 /nfs/dbraw/zinc/67/03/37/1403670337.db2.gz ZOOJCHHGMFIQGD-UHFFFAOYSA-N 1 3 334.420 2.306 20 5 EEBDHO CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCNCC1 ZINC001577711250 1403670348 /nfs/dbraw/zinc/67/03/48/1403670348.db2.gz ZOOJCHHGMFIQGD-UHFFFAOYSA-N 1 3 334.420 2.306 20 5 EEBDHO CCN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC001577711250 1403670353 /nfs/dbraw/zinc/67/03/53/1403670353.db2.gz ZOOJCHHGMFIQGD-UHFFFAOYSA-N 1 3 334.420 2.306 20 5 EEBDHO C[C@H]1C[C@H](C[NH3+])CN1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000442780922 242111327 /nfs/dbraw/zinc/11/13/27/242111327.db2.gz OMHOXESJCFJBSA-QWHCGFSZSA-N 1 3 330.388 2.461 20 5 EEBDHO Cc1ccc(CN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000591285019 468439185 /nfs/dbraw/zinc/43/91/85/468439185.db2.gz XLUXMRKGDKMKQX-WBVHZDCISA-N 1 3 331.416 2.104 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH3+])C1CCCC1 ZINC000423505037 466760182 /nfs/dbraw/zinc/76/01/82/466760182.db2.gz HAKMVAPUEHXRMN-BLLLJJGKSA-N 1 3 334.420 2.419 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@H]1CC[NH2+]CC1(C)C ZINC000420356296 467376365 /nfs/dbraw/zinc/37/63/65/467376365.db2.gz GAAOZDJAQQAONU-OAHLLOKOSA-N 1 3 334.420 2.210 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCNCC1(C)C ZINC000420356296 467376366 /nfs/dbraw/zinc/37/63/66/467376366.db2.gz GAAOZDJAQQAONU-OAHLLOKOSA-N 1 3 334.420 2.210 20 5 EEBDHO CC(C)C[N@@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591752157 468514360 /nfs/dbraw/zinc/51/43/60/468514360.db2.gz YWKBJZPZTJWMSJ-HNNXBMFYSA-N 1 3 348.447 2.491 20 5 EEBDHO CC(C)C[N@H+]1CC[C@@H](CNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000591752157 468514366 /nfs/dbraw/zinc/51/43/66/468514366.db2.gz YWKBJZPZTJWMSJ-HNNXBMFYSA-N 1 3 348.447 2.491 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593733989 469116634 /nfs/dbraw/zinc/11/66/34/469116634.db2.gz QKRLSHXVJKWSFC-KSSFIOAISA-N 1 3 346.431 2.293 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2(CN)C1 ZINC000593733989 469116638 /nfs/dbraw/zinc/11/66/38/469116638.db2.gz QKRLSHXVJKWSFC-KSSFIOAISA-N 1 3 346.431 2.293 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593733989 469116643 /nfs/dbraw/zinc/11/66/43/469116643.db2.gz QKRLSHXVJKWSFC-KSSFIOAISA-N 1 3 346.431 2.293 20 5 EEBDHO Cc1c(C[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079890 1198494488 /nfs/dbraw/zinc/49/44/88/1198494488.db2.gz JINMNPCULHVJLC-QZTJIDSGSA-N 1 3 333.432 2.371 20 5 EEBDHO CN(C)CCOCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000447593699 289169900 /nfs/dbraw/zinc/16/99/00/289169900.db2.gz UMSDQPJAIRBBQY-DOTOQJQBSA-N 1 3 335.448 2.474 20 5 EEBDHO Cn1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000414936898 313112671 /nfs/dbraw/zinc/11/26/71/313112671.db2.gz ZNILCBLSWDOAQM-HUUCEWRRSA-N 1 3 329.404 2.355 20 5 EEBDHO O=[N+]([O-])c1ccc(OC(F)F)c(CN[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000591281647 468437157 /nfs/dbraw/zinc/43/71/57/468437157.db2.gz HXFFPTWJYZFZPF-CYBMUJFWSA-N 1 3 327.331 2.428 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCN3CCCC3)CC2)cn1 ZINC000602594184 469376509 /nfs/dbraw/zinc/37/65/09/469376509.db2.gz UANVBQFZOVUXEH-UHFFFAOYSA-N 1 3 333.436 2.034 20 5 EEBDHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169033664 803578946 /nfs/dbraw/zinc/57/89/46/803578946.db2.gz DEXHSGPMTPHMHQ-DJIMGWMZSA-N 1 3 325.453 2.007 20 5 EEBDHO CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371261653 465675191 /nfs/dbraw/zinc/67/51/91/465675191.db2.gz ZOSWMVFABRONTN-IBGZPJMESA-N 1 3 346.475 2.238 20 5 EEBDHO CN(CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371261653 465675198 /nfs/dbraw/zinc/67/51/98/465675198.db2.gz ZOSWMVFABRONTN-IBGZPJMESA-N 1 3 346.475 2.238 20 5 EEBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420389340 313949064 /nfs/dbraw/zinc/94/90/64/313949064.db2.gz YCSISCGDQOTQTL-QZTJIDSGSA-N 1 3 349.431 2.192 20 5 EEBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000420389315 313949384 /nfs/dbraw/zinc/94/93/84/313949384.db2.gz YAFPGGRGHSEETI-QAPCUYQASA-N 1 3 349.431 2.192 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H](C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420382084 467387230 /nfs/dbraw/zinc/38/72/30/467387230.db2.gz DKCXUGVSCQNGRX-SJLPKXTDSA-N 1 3 333.432 2.356 20 5 EEBDHO Cc1c(C[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cccc1[N+](=O)[O-] ZINC000873079892 1198494374 /nfs/dbraw/zinc/49/43/74/1198494374.db2.gz JINMNPCULHVJLC-ZWKOTPCHSA-N 1 3 333.432 2.371 20 5 EEBDHO CC(C)[C@@H]([NH3+])CCN(C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843355357 1315898456 /nfs/dbraw/zinc/89/84/56/1315898456.db2.gz YGOAKXRQWMVYDF-AWEZNQCLSA-N 1 3 340.399 2.368 20 5 EEBDHO CC(C)N1CCN(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254540199 1318115804 /nfs/dbraw/zinc/11/58/04/1318115804.db2.gz QCPDEMNZZHDEEN-INIZCTEOSA-N 1 3 334.464 2.141 20 5 EEBDHO CN(C)CC[NH+](CCN(C)C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172914805 797148175 /nfs/dbraw/zinc/14/81/75/797148175.db2.gz JDGKXQWVWAQTBM-GOSISDBHSA-N 1 3 348.491 2.267 20 5 EEBDHO COc1ccc(CC2([NH3+])CCN([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997053 803562843 /nfs/dbraw/zinc/56/28/43/803562843.db2.gz BGVFFIJTDVRCGG-IRXDYDNUSA-N 1 3 347.459 2.476 20 5 EEBDHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000420389314 313949053 /nfs/dbraw/zinc/94/90/53/313949053.db2.gz YAFPGGRGHSEETI-MAUKXSAKSA-N 1 3 349.431 2.192 20 5 EEBDHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000420389313 313949056 /nfs/dbraw/zinc/94/90/56/313949056.db2.gz YAFPGGRGHSEETI-CRAIPNDOSA-N 1 3 349.431 2.192 20 5 EEBDHO O=[N+]([O-])c1cc2c(cc1CN1CCC[C@@H]([C@@H]3CC[NH2+]C3)C1)OCCO2 ZINC000592437218 468697771 /nfs/dbraw/zinc/69/77/71/468697771.db2.gz CYFOTDULMSGWSB-ZIAGYGMSSA-N 1 3 347.415 2.188 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C1CC1)C1CC[NH2+]CC1 ZINC000592471168 468705272 /nfs/dbraw/zinc/70/52/72/468705272.db2.gz FFCBSAPMHRYAMQ-UHFFFAOYSA-N 1 3 346.431 2.448 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C1CC1)C1CCNCC1 ZINC000592471168 468705277 /nfs/dbraw/zinc/70/52/77/468705277.db2.gz FFCBSAPMHRYAMQ-UHFFFAOYSA-N 1 3 346.431 2.448 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C1CC1)C1CCNCC1 ZINC000592471168 468705284 /nfs/dbraw/zinc/70/52/84/468705284.db2.gz FFCBSAPMHRYAMQ-UHFFFAOYSA-N 1 3 346.431 2.448 20 5 EEBDHO O=[N+]([O-])c1ccc(CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000602569314 469365817 /nfs/dbraw/zinc/36/58/17/469365817.db2.gz PSCLFLBDDOJGMN-MOPGFXCFSA-N 1 3 347.459 2.495 20 5 EEBDHO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@H](N3CCOCC3)CC1)C2 ZINC001254587988 1318135338 /nfs/dbraw/zinc/13/53/38/1318135338.db2.gz UIESHSVVXWHWMS-BZSNNMDCSA-N 1 3 345.443 2.295 20 5 EEBDHO O=[N+]([O-])c1cccc(Br)c1CNCC[C@H]1CC[NH2+]C1 ZINC001580876065 1344567727 /nfs/dbraw/zinc/56/77/27/1344567727.db2.gz YZSOOPFDDWHUBE-SNVBAGLBSA-N 1 3 328.210 2.447 20 5 EEBDHO CN1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000577745743 320273559 /nfs/dbraw/zinc/27/35/59/320273559.db2.gz SYHSHGVJQUCSGZ-QGZVFWFLSA-N 1 3 332.448 2.199 20 5 EEBDHO C[C@H](CNCCC(=O)Nc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000578231795 320302690 /nfs/dbraw/zinc/30/26/90/320302690.db2.gz KRYDHYIKQCCHHB-CQSZACIVSA-N 1 3 334.420 2.245 20 5 EEBDHO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CN1CCCC1 ZINC000578231795 320302692 /nfs/dbraw/zinc/30/26/92/320302692.db2.gz KRYDHYIKQCCHHB-CQSZACIVSA-N 1 3 334.420 2.245 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420414692 467400487 /nfs/dbraw/zinc/40/04/87/467400487.db2.gz USFYOCHDYWIHGR-TZMCWYRMSA-N 1 3 334.420 2.149 20 5 EEBDHO CC(C)N(C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511907 469344811 /nfs/dbraw/zinc/34/48/11/469344811.db2.gz VMGGVPDGJFGUER-UHFFFAOYSA-N 1 3 335.452 2.279 20 5 EEBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000866261444 1201479179 /nfs/dbraw/zinc/47/91/79/1201479179.db2.gz TWIGDAVPOLVMIX-WQVCFCJDSA-N 1 3 337.395 2.118 20 5 EEBDHO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000866261444 1201479181 /nfs/dbraw/zinc/47/91/81/1201479181.db2.gz TWIGDAVPOLVMIX-WQVCFCJDSA-N 1 3 337.395 2.118 20 5 EEBDHO Cc1c([C@@H](C)[NH2+]CCCN2CCC[C@@H](C(N)=O)C2)cccc1[N+](=O)[O-] ZINC000346115432 312271912 /nfs/dbraw/zinc/27/19/12/312271912.db2.gz XEVJBKMAVLLYHI-HUUCEWRRSA-N 1 3 348.447 2.141 20 5 EEBDHO [NH3+]CC1(O)CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000415136720 313120386 /nfs/dbraw/zinc/12/03/86/313120386.db2.gz DDOSNKHLVDGCEB-UHFFFAOYSA-N 1 3 331.372 2.140 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218377 466698810 /nfs/dbraw/zinc/69/88/10/466698810.db2.gz RXHNJNZNUSFSMK-MCIONIFRSA-N 1 3 334.420 2.290 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH3+])C1CCCC1 ZINC000415064958 467479088 /nfs/dbraw/zinc/47/90/88/467479088.db2.gz LUBWTFSMNKOPHR-WBMJQRKESA-N 1 3 334.420 2.419 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000531959506 468086993 /nfs/dbraw/zinc/08/69/93/468086993.db2.gz LCUQYVNHHFWHPM-HUUCEWRRSA-N 1 3 348.447 2.141 20 5 EEBDHO COc1cc(N2CCC(N[C@@H]3C[NH2+]CC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC001246103133 1310236461 /nfs/dbraw/zinc/23/64/61/1310236461.db2.gz UUQGZCFAAAXGMQ-CZUORRHYSA-N 1 3 348.447 2.160 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342098319 161039301 /nfs/dbraw/zinc/03/93/01/161039301.db2.gz IFJVEFUKVLMYNH-NUEKZKHPSA-N 1 3 346.431 2.291 20 5 EEBDHO CN(CCNc1nc(NCC[N@H+](C)C2CC2)ccc1[N+](=O)[O-])C1CC1 ZINC000277659627 269168462 /nfs/dbraw/zinc/16/84/62/269168462.db2.gz ZAVFISQTOVYFDW-UHFFFAOYSA-N 1 3 348.451 2.002 20 5 EEBDHO CN(CCNc1nc(NCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-])C1CC1 ZINC000277659627 269168463 /nfs/dbraw/zinc/16/84/63/269168463.db2.gz ZAVFISQTOVYFDW-UHFFFAOYSA-N 1 3 348.451 2.002 20 5 EEBDHO COc1cc(CNCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000272506671 274173676 /nfs/dbraw/zinc/17/36/76/274173676.db2.gz HDWOHUOGBQHHFG-UHFFFAOYSA-N 1 3 337.420 2.434 20 5 EEBDHO COc1ccc(CN2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1[N+](=O)[O-] ZINC000593316069 468936792 /nfs/dbraw/zinc/93/67/92/468936792.db2.gz QDRKHXIFKZCBJJ-RLFYNMQTSA-N 1 3 349.431 2.322 20 5 EEBDHO COc1ccc([N+](=O)[O-])c(C[C@@H](C)NC[C@H]2CCC[NH2+]C2)c1F ZINC001246196986 1310257523 /nfs/dbraw/zinc/25/75/23/1310257523.db2.gz JEVNTCXHLZDBIB-NEPJUHHUSA-N 1 3 325.384 2.263 20 5 EEBDHO CCN(CC)CCNC(=[NH2+])Nc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001163126655 1321043884 /nfs/dbraw/zinc/04/38/84/1321043884.db2.gz ULSVSTCLNLPGKZ-UHFFFAOYSA-N 1 3 330.392 2.421 20 5 EEBDHO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CCN(Cc3cccnc3)CC2)C1 ZINC001168997338 803563589 /nfs/dbraw/zinc/56/35/89/803563589.db2.gz YTAAAUYILXFZKY-WMZOPIPTSA-N 1 3 332.448 2.329 20 5 EEBDHO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1=CCN(C)CC1 ZINC000577743547 320273387 /nfs/dbraw/zinc/27/33/87/320273387.db2.gz SRIIXBFJHLQYHM-CYBMUJFWSA-N 1 3 332.404 2.163 20 5 EEBDHO Cc1cc(N[C@H](C)CN2CCN(C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000097083862 463317567 /nfs/dbraw/zinc/31/75/67/463317567.db2.gz JUUDBSKBWAIWIP-CQSZACIVSA-N 1 3 343.431 2.499 20 5 EEBDHO COC[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCCN1 ZINC000423412838 466743226 /nfs/dbraw/zinc/74/32/26/466743226.db2.gz IUIHIHFNDLJFQF-SJLPKXTDSA-N 1 3 333.432 2.274 20 5 EEBDHO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000420327032 467358511 /nfs/dbraw/zinc/35/85/11/467358511.db2.gz COOXRWCTLQNYMC-JSGCOSHPSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C)C[C@H]2CN)cccc1[N+](=O)[O-] ZINC000420327032 467358513 /nfs/dbraw/zinc/35/85/13/467358513.db2.gz COOXRWCTLQNYMC-JSGCOSHPSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)C[C@@H]1CN ZINC000420336365 467364973 /nfs/dbraw/zinc/36/49/73/467364973.db2.gz MDIGEKOMAMKTMW-SWLSCSKDSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)C[C@@H]1CN ZINC000420336365 467364974 /nfs/dbraw/zinc/36/49/74/467364974.db2.gz MDIGEKOMAMKTMW-SWLSCSKDSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430551042 467438553 /nfs/dbraw/zinc/43/85/53/467438553.db2.gz PNNYZNDYDRUQJL-KGLIPLIRSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1c(NC(=O)CCN2CCC[C@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430553991 467438559 /nfs/dbraw/zinc/43/85/59/467438559.db2.gz LYZOGDYPWHWDQN-KBPBESRZSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000873122997 1198505780 /nfs/dbraw/zinc/50/57/80/1198505780.db2.gz YMLRHCIYWRIUQX-UHFFFAOYSA-N 1 3 334.464 2.327 20 5 EEBDHO CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371261654 465674756 /nfs/dbraw/zinc/67/47/56/465674756.db2.gz ZOSWMVFABRONTN-LJQANCHMSA-N 1 3 346.475 2.238 20 5 EEBDHO CN(CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371261654 465674761 /nfs/dbraw/zinc/67/47/61/465674761.db2.gz ZOSWMVFABRONTN-LJQANCHMSA-N 1 3 346.475 2.238 20 5 EEBDHO CCCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420312735 467349948 /nfs/dbraw/zinc/34/99/48/467349948.db2.gz IJFMLKIIBPBBGB-UHFFFAOYSA-N 1 3 334.420 2.387 20 5 EEBDHO Cc1nc(CN)ccc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000562960420 469114796 /nfs/dbraw/zinc/11/47/96/469114796.db2.gz UREARYUDJAKRHU-LBPRGKRZSA-N 1 3 330.388 2.487 20 5 EEBDHO C[C@@H]1C[N@@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1N ZINC001246565362 1310345229 /nfs/dbraw/zinc/34/52/29/1310345229.db2.gz CLIALIGVZCGPCL-MEBBXXQBSA-N 1 3 340.374 2.121 20 5 EEBDHO C[C@@H]1C[N@H+](C2CCN(c3c(F)cc([N+](=O)[O-])cc3F)CC2)C[C@H]1N ZINC001246565362 1310345233 /nfs/dbraw/zinc/34/52/33/1310345233.db2.gz CLIALIGVZCGPCL-MEBBXXQBSA-N 1 3 340.374 2.121 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCCC[C@H]1CN ZINC000414799212 313092848 /nfs/dbraw/zinc/09/28/48/313092848.db2.gz JXEDUXGOPXKPBV-WWGRRREGSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414799212 313092852 /nfs/dbraw/zinc/09/28/52/313092852.db2.gz JXEDUXGOPXKPBV-WWGRRREGSA-N 1 3 334.420 2.419 20 5 EEBDHO C[N@@H+]1CCC[C@@H](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590971381 468388154 /nfs/dbraw/zinc/38/81/54/468388154.db2.gz JKKVYIBSSLFXBT-ZDUSSCGKSA-N 1 3 335.404 2.188 20 5 EEBDHO C[N@H+]1CCC[C@@H](CCNCc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000590971381 468388157 /nfs/dbraw/zinc/38/81/57/468388157.db2.gz JKKVYIBSSLFXBT-ZDUSSCGKSA-N 1 3 335.404 2.188 20 5 EEBDHO CC(C)N1CCN(CCC[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285404485 464551855 /nfs/dbraw/zinc/55/18/55/464551855.db2.gz UHDFPYYZNKMTDQ-UHFFFAOYSA-N 1 3 348.491 2.485 20 5 EEBDHO CC(C)N1CCN(CCC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285404485 464551863 /nfs/dbraw/zinc/55/18/63/464551863.db2.gz UHDFPYYZNKMTDQ-UHFFFAOYSA-N 1 3 348.491 2.485 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCC[C@@H]1CN ZINC000423271296 466707817 /nfs/dbraw/zinc/70/78/17/466707817.db2.gz IVEXMJUTCRBWBL-IOASZLSFSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000423271296 466707821 /nfs/dbraw/zinc/70/78/21/466707821.db2.gz IVEXMJUTCRBWBL-IOASZLSFSA-N 1 3 334.420 2.419 20 5 EEBDHO N[C@H]1CC[N@@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270585 1319128982 /nfs/dbraw/zinc/12/89/82/1319128982.db2.gz VYKXWWQMNWASCT-AWEZNQCLSA-N 1 3 341.415 2.145 20 5 EEBDHO N[C@H]1CC[N@H+](C2CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1 ZINC001158270585 1319128986 /nfs/dbraw/zinc/12/89/86/1319128986.db2.gz VYKXWWQMNWASCT-AWEZNQCLSA-N 1 3 341.415 2.145 20 5 EEBDHO CCN1CCN(CCCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284062235 293025815 /nfs/dbraw/zinc/02/58/15/293025815.db2.gz KWJDTGJGQFAJJG-OAHLLOKOSA-N 1 3 349.479 2.245 20 5 EEBDHO C[C@H]1CCC[N@H+](CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000554527278 468415880 /nfs/dbraw/zinc/41/58/80/468415880.db2.gz ZRWFPZGSLRFBSY-AWEZNQCLSA-N 1 3 334.420 2.245 20 5 EEBDHO C[C@H]1CCC[N@@H+](CCNCCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000554527278 468415883 /nfs/dbraw/zinc/41/58/83/468415883.db2.gz ZRWFPZGSLRFBSY-AWEZNQCLSA-N 1 3 334.420 2.245 20 5 EEBDHO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCCO1 ZINC000423495789 466758419 /nfs/dbraw/zinc/75/84/19/466758419.db2.gz VLZVEGHVFOOYFX-UONOGXRCSA-N 1 3 339.461 2.434 20 5 EEBDHO CCN(CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000420307888 467347859 /nfs/dbraw/zinc/34/78/59/467347859.db2.gz JCGGSHBKNNBDNV-AWEZNQCLSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCNCC1 ZINC000420307888 467347860 /nfs/dbraw/zinc/34/78/60/467347860.db2.gz JCGGSHBKNNBDNV-AWEZNQCLSA-N 1 3 334.420 2.387 20 5 EEBDHO CC[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CCCNCC1 ZINC000420307888 467347862 /nfs/dbraw/zinc/34/78/62/467347862.db2.gz JCGGSHBKNNBDNV-AWEZNQCLSA-N 1 3 334.420 2.387 20 5 EEBDHO [NH3+]C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420374060 467383437 /nfs/dbraw/zinc/38/34/37/467383437.db2.gz RVAKWXJWVJZMDO-OAHLLOKOSA-N 1 3 334.420 2.421 20 5 EEBDHO O=[N+]([O-])c1cc2c(cc1CNCC1CC[NH+](C3CC3)CC1)OCCO2 ZINC000618601555 469399877 /nfs/dbraw/zinc/39/98/77/469399877.db2.gz GKBRDPSARWESSL-UHFFFAOYSA-N 1 3 347.415 2.330 20 5 EEBDHO CCN(CC)CCNC(=[NH2+])Nc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001163125473 1321043253 /nfs/dbraw/zinc/04/32/53/1321043253.db2.gz CHZMANSZYRCHMQ-UHFFFAOYSA-N 1 3 330.392 2.421 20 5 EEBDHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000420389339 313948999 /nfs/dbraw/zinc/94/89/99/313948999.db2.gz YCSISCGDQOTQTL-MSOLQXFVSA-N 1 3 349.431 2.192 20 5 EEBDHO C[NH+](C)C1CCC(NCc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000591505422 468478018 /nfs/dbraw/zinc/47/80/18/468478018.db2.gz QVUVGMOWSWVHHL-UHFFFAOYSA-N 1 3 335.404 2.328 20 5 EEBDHO O=[N+]([O-])c1ncccc1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000886118656 1202474808 /nfs/dbraw/zinc/47/48/08/1202474808.db2.gz MOQGJEJMCPKMCJ-UHFFFAOYSA-N 1 3 348.447 2.314 20 5 EEBDHO [NH3+][C@H]1CC[C@H](N(C2COC2)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254587106 1318135296 /nfs/dbraw/zinc/13/52/96/1318135296.db2.gz VNAWAYSWTHPQMW-BFYDXBDKSA-N 1 3 331.416 2.033 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342098310 161039460 /nfs/dbraw/zinc/03/94/60/161039460.db2.gz IFJVEFUKVLMYNH-BPUTZDHNSA-N 1 3 346.431 2.291 20 5 EEBDHO O=[N+]([O-])c1ccccc1-c1ccc(CNCCCN2CC[NH2+]CC2)o1 ZINC000414775383 313085124 /nfs/dbraw/zinc/08/51/24/313085124.db2.gz CKBGRYLHAKEBKS-UHFFFAOYSA-N 1 3 344.415 2.240 20 5 EEBDHO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)C[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000420327035 467359080 /nfs/dbraw/zinc/35/90/80/467359080.db2.gz COOXRWCTLQNYMC-TZMCWYRMSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C)C[C@@H]2CN)cccc1[N+](=O)[O-] ZINC000420327035 467359082 /nfs/dbraw/zinc/35/90/82/467359082.db2.gz COOXRWCTLQNYMC-TZMCWYRMSA-N 1 3 334.420 2.291 20 5 EEBDHO COc1cc(CNCC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000459744797 245232010 /nfs/dbraw/zinc/23/20/10/245232010.db2.gz XWFOVVLPCIPVBU-ZDUSSCGKSA-N 1 3 337.420 2.434 20 5 EEBDHO COc1cc(CNCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1OC ZINC000459744797 245232013 /nfs/dbraw/zinc/23/20/13/245232013.db2.gz XWFOVVLPCIPVBU-ZDUSSCGKSA-N 1 3 337.420 2.434 20 5 EEBDHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372989763 466655531 /nfs/dbraw/zinc/65/55/31/466655531.db2.gz KQQITWILMKMVFJ-OAHLLOKOSA-N 1 3 334.420 2.340 20 5 EEBDHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372989763 466655536 /nfs/dbraw/zinc/65/55/36/466655536.db2.gz KQQITWILMKMVFJ-OAHLLOKOSA-N 1 3 334.420 2.340 20 5 EEBDHO C[NH+]1CCC2(CCCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1 ZINC000376381727 466908891 /nfs/dbraw/zinc/90/88/91/466908891.db2.gz BRVFRZFHQONBHH-UHFFFAOYSA-N 1 3 346.431 2.002 20 5 EEBDHO Cc1c(NC(=O)CCN2CCC[C@H]([C@@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430553992 467438049 /nfs/dbraw/zinc/43/80/49/467438049.db2.gz LYZOGDYPWHWDQN-KGLIPLIRSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1c(NC(=O)CCN2CCC[C@@H]([C@H](C)[NH3+])C2)cccc1[N+](=O)[O-] ZINC000430553993 467438367 /nfs/dbraw/zinc/43/83/67/467438367.db2.gz LYZOGDYPWHWDQN-UONOGXRCSA-N 1 3 334.420 2.291 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593736136 469116737 /nfs/dbraw/zinc/11/67/37/469116737.db2.gz GYCFPVBEHYKKLW-RKVPGOIHSA-N 1 3 349.431 2.192 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342100382 161039205 /nfs/dbraw/zinc/03/92/05/161039205.db2.gz KCOKEZBLBOYXOH-CWRNSKLLSA-N 1 3 346.431 2.291 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000114198720 462631274 /nfs/dbraw/zinc/63/12/74/462631274.db2.gz GTNHGIKMHMHMCT-CQSZACIVSA-N 1 3 334.420 2.115 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000114198720 462631280 /nfs/dbraw/zinc/63/12/80/462631280.db2.gz GTNHGIKMHMHMCT-CQSZACIVSA-N 1 3 334.420 2.115 20 5 EEBDHO CN1CCC(O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000269994757 464152216 /nfs/dbraw/zinc/15/22/16/464152216.db2.gz HICKTQCSYTUHNN-RDJZCZTQSA-N 1 3 347.459 2.352 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@@H]1CN ZINC000423271298 466707911 /nfs/dbraw/zinc/70/79/11/466707911.db2.gz IVEXMJUTCRBWBL-XJKCOSOUSA-N 1 3 334.420 2.419 20 5 EEBDHO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000423271298 466707916 /nfs/dbraw/zinc/70/79/16/466707916.db2.gz IVEXMJUTCRBWBL-XJKCOSOUSA-N 1 3 334.420 2.419 20 5 EEBDHO COc1ccc(OCCN2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000431036080 467489287 /nfs/dbraw/zinc/48/92/87/467489287.db2.gz DLNBLAQGTJCSGL-UHFFFAOYSA-N 1 3 335.404 2.058 20 5 EEBDHO O=[N+]([O-])c1ccc(CCNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000602569315 469365591 /nfs/dbraw/zinc/36/55/91/469365591.db2.gz PSCLFLBDDOJGMN-OALUTQOASA-N 1 3 347.459 2.495 20 5 EEBDHO O=[N+]([O-])c1cc2c(cc1NC[C@@H]1CCC3(CC[NH2+]CC3)CO1)CNC2 ZINC001162963423 1320998456 /nfs/dbraw/zinc/99/84/56/1320998456.db2.gz SCIBWKGBWHIVNX-HNNXBMFYSA-N 1 3 346.431 2.159 20 5 EEBDHO CCN1CCN([C@@H](C)C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574464565 320027993 /nfs/dbraw/zinc/02/79/93/320027993.db2.gz MTBXKOIPVCJZET-YOEHRIQHSA-N 1 3 332.448 2.198 20 5 EEBDHO C[N@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281469224 464467346 /nfs/dbraw/zinc/46/73/46/464467346.db2.gz VTWUOZFNHOTSCW-UHFFFAOYSA-N 1 3 334.420 2.341 20 5 EEBDHO C[N@@H+](CCCN1CCCC1)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281469224 464467352 /nfs/dbraw/zinc/46/73/52/464467352.db2.gz VTWUOZFNHOTSCW-UHFFFAOYSA-N 1 3 334.420 2.341 20 5 EEBDHO C[NH+]1CCC(O)(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000265910642 464728897 /nfs/dbraw/zinc/72/88/97/464728897.db2.gz XRKSPCGLSLTYFV-UHFFFAOYSA-N 1 3 345.399 2.401 20 5 EEBDHO C[C@@H]([NH3+])[C@@H]1CCN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000351865476 465406257 /nfs/dbraw/zinc/40/62/57/465406257.db2.gz NLCOYJUXRQWREX-TZMCWYRMSA-N 1 3 330.388 2.461 20 5 EEBDHO COc1ccc(OCCN2CCC([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000357083042 465756649 /nfs/dbraw/zinc/75/66/49/465756649.db2.gz IJGKLSDELJFKPA-OAHLLOKOSA-N 1 3 349.431 2.304 20 5 EEBDHO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CNCCCO1 ZINC000423495790 466758265 /nfs/dbraw/zinc/75/82/65/466758265.db2.gz VLZVEGHVFOOYFX-ZIAGYGMSSA-N 1 3 339.461 2.434 20 5 EEBDHO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420418656 467402228 /nfs/dbraw/zinc/40/22/28/467402228.db2.gz XCMJOMDSNGFMLT-TZMCWYRMSA-N 1 3 334.420 2.149 20 5 EEBDHO CC[C@@H]1CN(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592489127 468709755 /nfs/dbraw/zinc/70/97/55/468709755.db2.gz RENPHSVPLQATTM-KGLIPLIRSA-N 1 3 334.420 2.291 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000602516136 469346805 /nfs/dbraw/zinc/34/68/05/469346805.db2.gz IHQLSYIMUIXTDT-HOTGVXAUSA-N 1 3 345.447 2.175 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cn1 ZINC000602516136 469346807 /nfs/dbraw/zinc/34/68/07/469346807.db2.gz IHQLSYIMUIXTDT-HOTGVXAUSA-N 1 3 345.447 2.175 20 5 EEBDHO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cn1 ZINC000602516136 469346811 /nfs/dbraw/zinc/34/68/11/469346811.db2.gz IHQLSYIMUIXTDT-HOTGVXAUSA-N 1 3 345.447 2.175 20 5 EEBDHO COc1cc(N2CCC(N3CCC(C)([NH3+])CC3)CC2)ccc1[N+](=O)[O-] ZINC001256089786 1318644760 /nfs/dbraw/zinc/64/47/60/1318644760.db2.gz IYBQJUWCXNXALS-UHFFFAOYSA-N 1 3 348.447 2.385 20 5 EEBDHO Cc1c(NC(=O)CCN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-] ZINC000342103368 161039599 /nfs/dbraw/zinc/03/95/99/161039599.db2.gz MSXQSEZBRGCSEL-KKUMJFAQSA-N 1 3 346.431 2.291 20 5 EEBDHO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC[C@H](C)NC2)c1F ZINC001246084595 1310234189 /nfs/dbraw/zinc/23/41/89/1310234189.db2.gz KUXBLVULAFIINN-SRVKXCTJSA-N 1 3 325.384 2.404 20 5 EEBDHO [NH3+]CC[C@@H]1CCCCN1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000843382982 1315904414 /nfs/dbraw/zinc/90/44/14/1315904414.db2.gz BZZUOWGPOMDHFD-LBPRGKRZSA-N 1 3 338.383 2.266 20 5 EEBDHO COc1ccc(CC2([NH3+])CCN([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168997055 803562432 /nfs/dbraw/zinc/56/24/32/803562432.db2.gz BGVFFIJTDVRCGG-SJORKVTESA-N 1 3 347.459 2.476 20 5 EEBDHO CCN([C@@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033667 803578586 /nfs/dbraw/zinc/57/85/86/803578586.db2.gz DEXHSGPMTPHMHQ-USXIJHARSA-N 1 3 325.453 2.007 20 5 EEBDHO C[NH+](C)C1CCN(CCN[C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563549403 319022497 /nfs/dbraw/zinc/02/24/97/319022497.db2.gz REBWRGPNQCNYLJ-QGZVFWFLSA-N 1 3 332.448 2.198 20 5 EEBDHO O=[N+]([O-])c1cnn(CCNC2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000090539491 462795734 /nfs/dbraw/zinc/79/57/34/462795734.db2.gz HKODYXKQQHLQAQ-UHFFFAOYSA-N 1 3 343.431 2.088 20 5 EEBDHO C[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285460589 464573558 /nfs/dbraw/zinc/57/35/58/464573558.db2.gz ZVJIKRYOQDXCTJ-IWEFOYFVSA-N 1 3 348.447 2.205 20 5 EEBDHO N[C@H](C(=O)Nc1cc2cccnc2c2ncccc12)C1CC[NH2+]CC1 ZINC001218980135 1297892337 /nfs/dbraw/zinc/89/23/37/1297892337.db2.gz UKIMSAKDVMVYJO-INIZCTEOSA-N 1 3 335.411 2.048 20 5 EEBDHO COc1cc(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1OC ZINC000414787172 313088694 /nfs/dbraw/zinc/08/86/94/313088694.db2.gz VEGYVFNINUGTMP-ZIAGYGMSSA-N 1 3 349.431 2.434 20 5 EEBDHO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000072597162 463524265 /nfs/dbraw/zinc/52/42/65/463524265.db2.gz IMCZRDMUULOULZ-AWEZNQCLSA-N 1 3 348.447 2.046 20 5 EEBDHO COc1ccc(OCCN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000420338432 467365737 /nfs/dbraw/zinc/36/57/37/467365737.db2.gz XZDGFKQYICAKPT-CABCVRRESA-N 1 3 349.431 2.304 20 5 EEBDHO [NH3+]CC1(O)CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000415144228 467499987 /nfs/dbraw/zinc/49/99/87/467499987.db2.gz UFIWWGPSPLAVLD-UHFFFAOYSA-N 1 3 331.372 2.140 20 5 EEBDHO C[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558866 1277267243 /nfs/dbraw/zinc/26/72/43/1277267243.db2.gz UXOYHZIJMIIFIS-WFASDCNBSA-N 1 3 334.420 2.081 20 5 EEBDHO C[C@@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](CC[NH3+])C1 ZINC001576317754 1343997515 /nfs/dbraw/zinc/99/75/15/1343997515.db2.gz ZLIAGRVKGRLLDA-NWDGAFQWSA-N 1 3 331.376 2.377 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414856213 313103300 /nfs/dbraw/zinc/10/33/00/313103300.db2.gz OBPGLXYQISRQBF-MGPQQGTHSA-N 1 3 334.420 2.290 20 5 EEBDHO CCN(CC)CCNC(=[NH2+])Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001163129472 1321045441 /nfs/dbraw/zinc/04/54/41/1321045441.db2.gz ZRYLHZUYLMAHRX-UHFFFAOYSA-N 1 3 330.392 2.421 20 5 EEBDHO CC[NH+](CC)CCNC(=N)Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC001163129472 1321045447 /nfs/dbraw/zinc/04/54/47/1321045447.db2.gz ZRYLHZUYLMAHRX-UHFFFAOYSA-N 1 3 330.392 2.421 20 5 EEBDHO COc1c([O-])ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000894066836 780487059 /nfs/dbraw/zinc/48/70/59/780487059.db2.gz FTILFUJQBHEVTJ-UHFFFAOYSA-N 1 3 335.404 2.273 20 5 EEBDHO [NH3+]C[C@H]1COc2ccccc2N1c1cc2c(cc1[N+](=O)[O-])CNC2 ZINC001171393498 794574955 /nfs/dbraw/zinc/57/49/55/794574955.db2.gz LDSQIUUCLDIKBB-ZDUSSCGKSA-N 1 3 326.356 2.056 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)NC[C@@]1(C)CCC[NH2+]C1 ZINC000414904027 313111301 /nfs/dbraw/zinc/11/13/01/313111301.db2.gz JLORPAWHQAVAFO-DYVFJYSZSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@]1(C)CCCNC1 ZINC000414904027 313111304 /nfs/dbraw/zinc/11/13/04/313111304.db2.gz JLORPAWHQAVAFO-DYVFJYSZSA-N 1 3 334.420 2.291 20 5 EEBDHO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000590594991 468282285 /nfs/dbraw/zinc/28/22/85/468282285.db2.gz VRVRESIMLWXGNP-INIZCTEOSA-N 1 3 333.432 2.228 20 5 EEBDHO O=[N+]([O-])c1ccc(CCNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000590594991 468282289 /nfs/dbraw/zinc/28/22/89/468282289.db2.gz VRVRESIMLWXGNP-INIZCTEOSA-N 1 3 333.432 2.228 20 5 EEBDHO [NH3+][C@H]1CCO[C@H](C2CCN(CCOc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420393723 467393061 /nfs/dbraw/zinc/39/30/61/467393061.db2.gz QTZDAONVGVRAPA-YJBOKZPZSA-N 1 3 349.431 2.192 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000602808948 469089917 /nfs/dbraw/zinc/08/99/17/469089917.db2.gz FYRTWWZJZLSRMB-ZFWWWQNUSA-N 1 3 335.452 2.342 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CCN[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000602808948 469089923 /nfs/dbraw/zinc/08/99/23/469089923.db2.gz FYRTWWZJZLSRMB-ZFWWWQNUSA-N 1 3 335.452 2.342 20 5 EEBDHO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@H]1CCCN(C2CCC2)C1 ZINC000602808948 469089932 /nfs/dbraw/zinc/08/99/32/469089932.db2.gz FYRTWWZJZLSRMB-ZFWWWQNUSA-N 1 3 335.452 2.342 20 5 EEBDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041483 240340393 /nfs/dbraw/zinc/34/03/93/240340393.db2.gz JCEJBYSJTZHMKQ-LEWSCRJBSA-N 1 3 327.812 2.133 20 5 EEBDHO C[C@H](N)[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423041483 240340400 /nfs/dbraw/zinc/34/04/00/240340400.db2.gz JCEJBYSJTZHMKQ-LEWSCRJBSA-N 1 3 327.812 2.133 20 5 EEBDHO CC(C)N1CCC(O)(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449195058 315430645 /nfs/dbraw/zinc/43/06/45/315430645.db2.gz VTRUSCGIZZLBNX-OAHLLOKOSA-N 1 3 335.448 2.351 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593735986 469115966 /nfs/dbraw/zinc/11/59/66/469115966.db2.gz CJLKDDBTWNDLHH-HDMKZQKVSA-N 1 3 349.431 2.192 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593736135 469116082 /nfs/dbraw/zinc/11/60/82/469116082.db2.gz GYCFPVBEHYKKLW-IIDMSEBBSA-N 1 3 349.431 2.192 20 5 EEBDHO CC(C)(C(=O)NCCNCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC001127317545 795361654 /nfs/dbraw/zinc/36/16/54/795361654.db2.gz QAGBTWMMUHPTSV-UHFFFAOYSA-N 1 3 348.447 2.065 20 5 EEBDHO CCN([C@H]1CCOC1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169033666 803578924 /nfs/dbraw/zinc/57/89/24/803578924.db2.gz DEXHSGPMTPHMHQ-UAGQMJEPSA-N 1 3 325.453 2.007 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCCC[C@@H]1CC[NH3+] ZINC000352510643 162164514 /nfs/dbraw/zinc/16/45/14/162164514.db2.gz OHGSEDPQQBBDGE-CQSZACIVSA-N 1 3 334.420 2.435 20 5 EEBDHO C[C@@H](NCCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000564854250 319118776 /nfs/dbraw/zinc/11/87/76/319118776.db2.gz MXOAXYFHRTWHPD-CYBMUJFWSA-N 1 3 336.436 2.489 20 5 EEBDHO C[C@@H]1CC2(CN1Cc1cc3c(cc1[N+](=O)[O-])OCCO3)CC[NH2+]CC2 ZINC000591668425 468500313 /nfs/dbraw/zinc/50/03/13/468500313.db2.gz XVPWMQBAADVSCR-CYBMUJFWSA-N 1 3 347.415 2.330 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)NC[C@]1(C)CCC[NH2+]C1 ZINC000423338675 466722268 /nfs/dbraw/zinc/72/22/68/466722268.db2.gz UTRQCUNOJMMANW-SUMWQHHRSA-N 1 3 334.420 2.291 20 5 EEBDHO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@]1(C)CCCNC1 ZINC000423338675 466722271 /nfs/dbraw/zinc/72/22/71/466722271.db2.gz UTRQCUNOJMMANW-SUMWQHHRSA-N 1 3 334.420 2.291 20 5 EEBDHO Cc1c(NC(=O)CCN2CC[C@@H](C)[C@H](C[NH3+])C2)cccc1[N+](=O)[O-] ZINC000420422313 467404180 /nfs/dbraw/zinc/40/41/80/467404180.db2.gz ZFSRUIKAZMRJJY-TZMCWYRMSA-N 1 3 334.420 2.149 20 5 EEBDHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(CCOc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593735987 469115988 /nfs/dbraw/zinc/11/59/88/469115988.db2.gz CJLKDDBTWNDLHH-IIDMSEBBSA-N 1 3 349.431 2.192 20 5 EEBDHO C[C@H](c1nnc(-c2ccc([N+](=O)[O-])cc2)o1)N1CC[C@@H](CC[NH3+])C1 ZINC001576317758 1343997731 /nfs/dbraw/zinc/99/77/31/1343997731.db2.gz ZLIAGRVKGRLLDA-VXGBXAGGSA-N 1 3 331.376 2.377 20 5 EEBDHO O=C(CCC[NH+]1CCCC1)NCCCNCc1ccccc1[N+](=O)[O-] ZINC001176884388 798613119 /nfs/dbraw/zinc/61/31/19/798613119.db2.gz FRCOPHGFOWFUEA-UHFFFAOYSA-N 1 3 348.447 2.067 20 5 EEBDHO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1NC[C@@H]1C[NH2+]CCCO1 ZINC000415033257 275040063 /nfs/dbraw/zinc/04/00/63/275040063.db2.gz GUWOALXRIWKCMH-BHYGNILZSA-N 1 3 333.432 2.274 20 5 EEBDHO C[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293943224 293333179 /nfs/dbraw/zinc/33/31/79/293333179.db2.gz YSZJYQYBCSDHEI-KBPBESRZSA-N 1 3 348.447 2.329 20 5 EEBDHO [NH3+][C@@H]1CCO[C@H]1C1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000414773581 313084446 /nfs/dbraw/zinc/08/44/46/313084446.db2.gz AKMGKYKNKLZXEU-LFWRUUNESA-N 1 3 331.416 2.436 20 5 EEBDHO C[N@H+](CCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590781314 468337555 /nfs/dbraw/zinc/33/75/55/468337555.db2.gz QKNRECPJCHKDQU-UHFFFAOYSA-N 1 3 335.404 2.330 20 5 EEBDHO C[N@@H+](CCCCNCc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000590781314 468337559 /nfs/dbraw/zinc/33/75/59/468337559.db2.gz QKNRECPJCHKDQU-UHFFFAOYSA-N 1 3 335.404 2.330 20 5 EEBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152416651 463687934 /nfs/dbraw/zinc/68/79/34/463687934.db2.gz VLWDQKLASGPHHD-AWEZNQCLSA-N 1 3 334.420 2.197 20 5 EEBDHO CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152416651 463687937 /nfs/dbraw/zinc/68/79/37/463687937.db2.gz VLWDQKLASGPHHD-AWEZNQCLSA-N 1 3 334.420 2.197 20 5 EEBDHO CC(C)[NH+]1CCC(O)(CNC/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000268399603 463729259 /nfs/dbraw/zinc/72/92/59/463729259.db2.gz BLYYBEYLBHTKRG-FNORWQNLSA-N 1 3 333.432 2.433 20 5 EEBDHO COc1ccc(OCCN2CCC([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000357083041 465755256 /nfs/dbraw/zinc/75/52/56/465755256.db2.gz IJGKLSDELJFKPA-HNNXBMFYSA-N 1 3 349.431 2.304 20 5 EEBDHO C[C@H]1CCCN(CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730766 469112381 /nfs/dbraw/zinc/11/23/81/469112381.db2.gz FKZDVRCJGJTJFO-DZGCQCFKSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCN ZINC000593730766 469112384 /nfs/dbraw/zinc/11/23/84/469112384.db2.gz FKZDVRCJGJTJFO-DZGCQCFKSA-N 1 3 334.420 2.373 20 5 EEBDHO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1CCN ZINC000593730766 469112389 /nfs/dbraw/zinc/11/23/89/469112389.db2.gz FKZDVRCJGJTJFO-DZGCQCFKSA-N 1 3 334.420 2.373 20 5 EEBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000118843069 221195033 /nfs/dbraw/zinc/19/50/33/221195033.db2.gz HXRNXEWEIIPUDB-AWEZNQCLSA-N 1 3 334.420 2.197 20 5 EEBDHO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000118843069 221195036 /nfs/dbraw/zinc/19/50/36/221195036.db2.gz HXRNXEWEIIPUDB-AWEZNQCLSA-N 1 3 334.420 2.197 20 5 EEBDHO Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420414687 467400505 /nfs/dbraw/zinc/40/05/05/467400505.db2.gz USFYOCHDYWIHGR-GXTWGEPZSA-N 1 3 334.420 2.149 20 5 EEBDHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873042762 1198482327 /nfs/dbraw/zinc/48/23/27/1198482327.db2.gz IWAQPXAKJYUZSK-OAHLLOKOSA-N 1 3 334.464 2.266 20 5 EEBDHO O=[N+]([O-])c1cccc([C@H](O)CN2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000923390864 789478092 /nfs/dbraw/zinc/47/80/92/789478092.db2.gz WMGMWSUXLCTPCG-FUHWJXTLSA-N 1 3 333.432 2.340 20 5 EEBDHO CCN1CCN(CCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449222244 315435567 /nfs/dbraw/zinc/43/55/67/315435567.db2.gz VWYBCOXCWOPOEB-INIZCTEOSA-N 1 3 334.464 2.143 20 5 EEBDHO O=[N+]([O-])c1ccc(CC[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000590594992 468281503 /nfs/dbraw/zinc/28/15/03/468281503.db2.gz VRVRESIMLWXGNP-MRXNPFEDSA-N 1 3 333.432 2.228 20 5 EEBDHO O=[N+]([O-])c1ccc(CCNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000590594992 468281504 /nfs/dbraw/zinc/28/15/04/468281504.db2.gz VRVRESIMLWXGNP-MRXNPFEDSA-N 1 3 333.432 2.228 20 5 EEBDHO [NH3+][C@H]1CCO[C@H](C2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000420382085 467387252 /nfs/dbraw/zinc/38/72/52/467387252.db2.gz DKCXUGVSCQNGRX-WMZOPIPTSA-N 1 3 333.432 2.356 20 5 EEBDHO CN1CCC[N@H+](CCCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893319988 684661733 /nfs/dbraw/zinc/66/17/33/684661733.db2.gz URTNTMLBXOLKKD-UHFFFAOYSA-N 1 3 340.855 2.365 20 5 EEBDHO CN1CCC[N@@H+](CCCNCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000893319988 684661734 /nfs/dbraw/zinc/66/17/34/684661734.db2.gz URTNTMLBXOLKKD-UHFFFAOYSA-N 1 3 340.855 2.365 20 5 EEBDHO C[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850558864 1277267304 /nfs/dbraw/zinc/26/73/04/1277267304.db2.gz UXOYHZIJMIIFIS-IUODEOHRSA-N 1 3 334.420 2.081 20 5 EEBDHO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001254562354 1318122616 /nfs/dbraw/zinc/12/26/16/1318122616.db2.gz KVFJLTJQHVHYBA-INIZCTEOSA-N 1 3 346.475 2.238 20 5 EEBDHO COc1cccc(CC2([NH3+])CCN([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001168998232 803564068 /nfs/dbraw/zinc/56/40/68/803564068.db2.gz KEHDXVNTFUVWFT-IAGOWNOFSA-N 1 3 347.459 2.476 20 5 EEBDHO COc1ccc(C[C@@H](C)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341378 809915513 /nfs/dbraw/zinc/91/55/13/809915513.db2.gz PXDMSZDRFZNMNN-BMFZPTHFSA-N 1 3 333.432 2.418 20 5 EEBDHO COc1ccc(C[C@@H](C)N2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001170341378 809915519 /nfs/dbraw/zinc/91/55/19/809915519.db2.gz PXDMSZDRFZNMNN-BMFZPTHFSA-N 1 3 333.432 2.418 20 5 EEBDHO