smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000346848812 156162491 /nfs/dbraw/zinc/16/24/91/156162491.db2.gz RLMORLSAEQEMGL-FHLIZLRMSA-N 2 0 341.411 3.414 20 5 EGBDRP C[NH+](C)CCCC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123628252 307541169 /nfs/dbraw/zinc/54/11/69/307541169.db2.gz IIHKFPIOAOFPBW-UHFFFAOYSA-N 2 0 349.475 3.418 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414999396 309113529 /nfs/dbraw/zinc/11/35/29/309113529.db2.gz RYGCERRWDLZMTC-RMDWIRJCSA-N 2 0 343.471 3.412 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423343832 309396259 /nfs/dbraw/zinc/39/62/59/309396259.db2.gz XHDQMJXPKAKGFO-AWEZNQCLSA-N 2 0 337.489 3.445 20 5 EGBDRP C[NH+](C)CCC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056521789 454064247 /nfs/dbraw/zinc/06/42/47/454064247.db2.gz PYXVBOQDMVUPDN-UHFFFAOYSA-N 2 0 335.448 3.027 20 5 EGBDRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154503276 454902279 /nfs/dbraw/zinc/90/22/79/454902279.db2.gz XAVZIXPJDBAXEW-LJQANCHMSA-N 2 0 348.491 3.053 20 5 EGBDRP CCC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000150978170 454920976 /nfs/dbraw/zinc/92/09/76/454920976.db2.gz KEFXYBMIRJJALT-IBGZPJMESA-N 2 0 348.491 3.052 20 5 EGBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266779170 455451490 /nfs/dbraw/zinc/45/14/90/455451490.db2.gz XGBOBIWJPQQSOE-INIZCTEOSA-N 2 0 347.459 3.233 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000261695350 455930068 /nfs/dbraw/zinc/93/00/68/455930068.db2.gz BEYPQJVBRINYGP-GOSISDBHSA-N 2 0 327.384 3.040 20 5 EGBDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580199 458315355 /nfs/dbraw/zinc/31/53/55/458315355.db2.gz NNHLEIHVQYSXIH-JKSUJKDBSA-N 2 0 349.479 3.128 20 5 EGBDRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373105064 458398321 /nfs/dbraw/zinc/39/83/21/458398321.db2.gz ULXOVQQSAXDIJD-GFCCVEGCSA-N 2 0 334.807 3.361 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000594737208 459146403 /nfs/dbraw/zinc/14/64/03/459146403.db2.gz ZCEOCJQGMJKXPI-CQSZACIVSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC000592470705 459608871 /nfs/dbraw/zinc/60/88/71/459608871.db2.gz DVSXKZFBDAPEMN-OUCADQQQSA-N 2 0 343.349 3.091 20 5 EGBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847291 460158165 /nfs/dbraw/zinc/15/81/65/460158165.db2.gz VTLRGXMWIIOLAC-HNNXBMFYSA-N 2 0 326.400 3.263 20 5 EGBDRP CCC[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873291502 1297412794 /nfs/dbraw/zinc/41/27/94/1297412794.db2.gz WNYWBAICEHUTPO-MSOLQXFVSA-N 2 0 347.459 3.184 20 5 EGBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525024 1305962182 /nfs/dbraw/zinc/96/21/82/1305962182.db2.gz AVCZHKAHUDWWIB-GJZGRUSLSA-N 2 0 334.464 3.340 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000868 1384084052 /nfs/dbraw/zinc/08/40/52/1384084052.db2.gz YZEXOACFLYXCER-NXWXRZEISA-N 2 0 349.450 3.343 20 5 EGBDRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030346 1384094441 /nfs/dbraw/zinc/09/44/41/1384094441.db2.gz YXZDQJHTPKXTLT-UYAOXDASSA-N 2 0 345.487 3.418 20 5 EGBDRP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279075015 275301768 /nfs/dbraw/zinc/30/17/68/275301768.db2.gz MBMRLJBLLSZWAX-ACJLOTCBSA-N 2 0 329.444 3.391 20 5 EGBDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000350227878 276328339 /nfs/dbraw/zinc/32/83/39/276328339.db2.gz WTBSWPFOSNWXCG-CVEARBPZSA-N 2 0 335.448 3.089 20 5 EGBDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000350227882 279110278 /nfs/dbraw/zinc/11/02/78/279110278.db2.gz WTBSWPFOSNWXCG-HZPDHXFCSA-N 2 0 335.448 3.089 20 5 EGBDRP CC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414899158 309108269 /nfs/dbraw/zinc/10/82/69/309108269.db2.gz HAFKXSGVJFDCIK-DOTOQJQBSA-N 2 0 331.460 3.285 20 5 EGBDRP CC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]CC1 ZINC000414910170 309108794 /nfs/dbraw/zinc/10/87/94/309108794.db2.gz SKYRQRIXTLWPPX-UHFFFAOYSA-N 2 0 346.456 3.198 20 5 EGBDRP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414918556 309109368 /nfs/dbraw/zinc/10/93/68/309109368.db2.gz UUJYDNLVEJLSLB-WDYCEAGBSA-N 2 0 331.460 3.285 20 5 EGBDRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415012818 309114254 /nfs/dbraw/zinc/11/42/54/309114254.db2.gz XOCCGBBILHKGAI-TZMCWYRMSA-N 2 0 346.456 3.325 20 5 EGBDRP C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000415126981 309122295 /nfs/dbraw/zinc/12/22/95/309122295.db2.gz MREUZMYRPOFKOS-ZFWWWQNUSA-N 2 0 329.400 3.272 20 5 EGBDRP C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C[NH3+] ZINC000415127353 309122360 /nfs/dbraw/zinc/12/23/60/309122360.db2.gz MULBDEBFZMPWEQ-KBPBESRZSA-N 2 0 329.400 3.272 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420334176 309282847 /nfs/dbraw/zinc/28/28/47/309282847.db2.gz ITPGYCNGOMYITN-GOSISDBHSA-N 2 0 347.459 3.346 20 5 EGBDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212953 310044988 /nfs/dbraw/zinc/04/49/88/310044988.db2.gz UMSMKTSIXNDRNB-SJORKVTESA-N 2 0 333.476 3.483 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000571561707 317216756 /nfs/dbraw/zinc/21/67/56/317216756.db2.gz VDTKEACYDGNZEI-RYUDHWBXSA-N 2 0 333.388 3.079 20 5 EGBDRP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000178037424 454928944 /nfs/dbraw/zinc/92/89/44/454928944.db2.gz YLUZKVIDHRSCHL-UXLLHSPISA-N 2 0 349.475 3.443 20 5 EGBDRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601131934 460723886 /nfs/dbraw/zinc/72/38/86/460723886.db2.gz RVXXHXFZODSMIA-CXAGYDPISA-N 2 0 326.400 3.064 20 5 EGBDRP Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302106444 456289691 /nfs/dbraw/zinc/28/96/91/456289691.db2.gz XUGUDIHNBQUNBJ-KDOFPFPSSA-N 2 0 340.427 3.372 20 5 EGBDRP CSC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000353665421 456841898 /nfs/dbraw/zinc/84/18/98/456841898.db2.gz YZUOYIMXKONKAW-KRWDZBQOSA-N 2 0 349.500 3.389 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cncn1C ZINC000530354900 458753260 /nfs/dbraw/zinc/75/32/60/458753260.db2.gz CUCDLENJWLPWML-CYBMUJFWSA-N 2 0 334.445 3.031 20 5 EGBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000442921367 459061883 /nfs/dbraw/zinc/06/18/83/459061883.db2.gz MUIKZGNEOGKACZ-CQSZACIVSA-N 2 0 329.400 3.416 20 5 EGBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000442921486 459062123 /nfs/dbraw/zinc/06/21/23/459062123.db2.gz NLYPQJITSVRHJG-CYBMUJFWSA-N 2 0 346.456 3.279 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506481 459329067 /nfs/dbraw/zinc/32/90/67/459329067.db2.gz CYZLZSCVYGVEFU-LJQANCHMSA-N 2 0 347.459 3.300 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC34CC[NH2+]CC4)o2)cc1 ZINC000591281845 459347304 /nfs/dbraw/zinc/34/73/04/459347304.db2.gz OUOZJEFBYIEKPW-KRWDZBQOSA-N 2 0 327.384 3.087 20 5 EGBDRP CC(C)[N@H+](C)CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000524156128 459349654 /nfs/dbraw/zinc/34/96/54/459349654.db2.gz LWCHWROGTGPEOV-UHFFFAOYSA-N 2 0 335.448 3.026 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000591582326 459407426 /nfs/dbraw/zinc/40/74/26/459407426.db2.gz IKBBSUKDGJNHHG-IRXDYDNUSA-N 2 0 329.444 3.180 20 5 EGBDRP [NH3+]Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(F)c1 ZINC000593323939 459842022 /nfs/dbraw/zinc/84/20/22/459842022.db2.gz UCNVLIAORYCVBO-GOSISDBHSA-N 2 0 343.402 3.304 20 5 EGBDRP COc1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000603109442 460244702 /nfs/dbraw/zinc/24/47/02/460244702.db2.gz AZKJGGKDVLRRNY-UHFFFAOYSA-N 2 0 335.448 3.301 20 5 EGBDRP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788509334 1305958618 /nfs/dbraw/zinc/95/86/18/1305958618.db2.gz XBPATACYNHTYDG-OAHLLOKOSA-N 2 0 342.443 3.350 20 5 EGBDRP CC1(C)C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C[C@](C)(C[NH3+])C1 ZINC001169141947 1384113035 /nfs/dbraw/zinc/11/30/35/1384113035.db2.gz DYARZFUQCODACK-KDOFPFPSSA-N 2 0 332.448 3.154 20 5 EGBDRP NCC[N@H+](Cc1ccccc1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895196 1384872992 /nfs/dbraw/zinc/87/29/92/1384872992.db2.gz ATLDGFQGNQTFFS-LJQANCHMSA-N 2 0 339.439 3.303 20 5 EGBDRP C[NH+]1CCC2(CC[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)CC1 ZINC001172921769 1384879994 /nfs/dbraw/zinc/87/99/94/1384879994.db2.gz SLNQPXKWBIAFDA-SFHVURJKSA-N 2 0 343.471 3.260 20 5 EGBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001173231861 1384941455 /nfs/dbraw/zinc/94/14/55/1384941455.db2.gz ODRWEWWBLPSOSC-INIZCTEOSA-N 2 0 331.460 3.334 20 5 EGBDRP C[NH+](C)CCn1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001176448837 1385590466 /nfs/dbraw/zinc/59/04/66/1385590466.db2.gz BUMMDIFKSOARHZ-UHFFFAOYSA-N 2 0 346.438 3.472 20 5 EGBDRP COc1ccc(CNCCC[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000119400832 275189977 /nfs/dbraw/zinc/18/99/77/275189977.db2.gz VLVUQJQMVIYVBH-UHFFFAOYSA-N 2 0 343.427 3.215 20 5 EGBDRP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414918553 309109296 /nfs/dbraw/zinc/10/92/96/309109296.db2.gz UUJYDNLVEJLSLB-AYBZRNKSSA-N 2 0 331.460 3.285 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)o2)c1 ZINC000414969113 309112235 /nfs/dbraw/zinc/11/22/35/309112235.db2.gz ITOHXMBQUDCQCU-HNNXBMFYSA-N 2 0 329.400 3.477 20 5 EGBDRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414999370 309113442 /nfs/dbraw/zinc/11/34/42/309113442.db2.gz RTUUNMSFDUFHRK-ZFWWWQNUSA-N 2 0 329.400 3.462 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414998456 309113485 /nfs/dbraw/zinc/11/34/85/309113485.db2.gz QQOAEYHAEXIOAS-UONOGXRCSA-N 2 0 329.400 3.462 20 5 EGBDRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414998454 309113487 /nfs/dbraw/zinc/11/34/87/309113487.db2.gz QQOAEYHAEXIOAS-KGLIPLIRSA-N 2 0 329.400 3.462 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415027594 309115215 /nfs/dbraw/zinc/11/52/15/309115215.db2.gz BFTQRDRIZYKGLD-OLZOCXBDSA-N 2 0 345.399 3.080 20 5 EGBDRP COc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415059677 309117366 /nfs/dbraw/zinc/11/73/66/309117366.db2.gz VJNYCCVFXYBLNO-INIZCTEOSA-N 2 0 329.400 3.173 20 5 EGBDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918035 309376167 /nfs/dbraw/zinc/37/61/67/309376167.db2.gz HDZYJLQZSBMCFC-OXQOHEQNSA-N 2 0 341.455 3.466 20 5 EGBDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918934 309376290 /nfs/dbraw/zinc/37/62/90/309376290.db2.gz JAYORUUXUNJKTL-AWEZNQCLSA-N 2 0 342.443 3.430 20 5 EGBDRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423084486 309385262 /nfs/dbraw/zinc/38/52/62/309385262.db2.gz IBJPAMQGCMOLPJ-IINYFYTJSA-N 2 0 331.338 3.091 20 5 EGBDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091191 309385385 /nfs/dbraw/zinc/38/53/85/309385385.db2.gz WXIVTFSBTMPREG-RISCZKNCSA-N 2 0 331.338 3.221 20 5 EGBDRP CCc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423254206 309392551 /nfs/dbraw/zinc/39/25/51/309392551.db2.gz XPCBKCWTRUIOEJ-AUUYWEPGSA-N 2 0 343.427 3.429 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423275634 309393684 /nfs/dbraw/zinc/39/36/84/309393684.db2.gz MARUHEHAPUTAHW-OWLYRPNTSA-N 2 0 331.460 3.413 20 5 EGBDRP CCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000161592243 454705496 /nfs/dbraw/zinc/70/54/96/454705496.db2.gz JKTSSXLEHNEHEW-SFHVURJKSA-N 2 0 331.460 3.380 20 5 EGBDRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245418520 455293005 /nfs/dbraw/zinc/29/30/05/455293005.db2.gz AVSXQXSQTZTOES-BXWFABGCSA-N 2 0 349.475 3.382 20 5 EGBDRP C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185723479 455605970 /nfs/dbraw/zinc/60/59/70/455605970.db2.gz UPZFKNOMHIPFLB-HOTGVXAUSA-N 2 0 347.459 3.216 20 5 EGBDRP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311076013 456585119 /nfs/dbraw/zinc/58/51/19/456585119.db2.gz AOBRSEKRSHHBFU-IBGZPJMESA-N 2 0 339.439 3.249 20 5 EGBDRP CCOc1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000276860837 456601745 /nfs/dbraw/zinc/60/17/45/456601745.db2.gz GGVNKSBYFSOHTB-KRWDZBQOSA-N 2 0 347.459 3.301 20 5 EGBDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347070004 457214856 /nfs/dbraw/zinc/21/48/56/457214856.db2.gz PCKKGRIZNQAYCR-HIFRSBDPSA-N 2 0 329.400 3.414 20 5 EGBDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347145781 457256280 /nfs/dbraw/zinc/25/62/80/457256280.db2.gz YGWDPDKCOYPJQZ-DZGCQCFKSA-N 2 0 329.400 3.414 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425935400 457655897 /nfs/dbraw/zinc/65/58/97/457655897.db2.gz DCVPLZFCQJRWCW-ZIAGYGMSSA-N 2 0 325.478 3.253 20 5 EGBDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@H]1[NH3+] ZINC000435373294 458124386 /nfs/dbraw/zinc/12/43/86/458124386.db2.gz DGJZOMYZBXCHMR-MLGOLLRUSA-N 2 0 331.441 3.492 20 5 EGBDRP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566689162 458984955 /nfs/dbraw/zinc/98/49/55/458984955.db2.gz OYCVGNWCRVRPPS-GOSISDBHSA-N 2 0 325.412 3.434 20 5 EGBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595105887 459247046 /nfs/dbraw/zinc/24/70/46/459247046.db2.gz ZVVXYHXTOZWMRU-GOSISDBHSA-N 2 0 329.444 3.294 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000593322533 459841014 /nfs/dbraw/zinc/84/10/14/459841014.db2.gz OIRSFMJPTQDQPL-FUHWJXTLSA-N 2 0 331.460 3.285 20 5 EGBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525026 1305963081 /nfs/dbraw/zinc/96/30/81/1305963081.db2.gz AVCZHKAHUDWWIB-HUUCEWRRSA-N 2 0 334.464 3.340 20 5 EGBDRP [NH3+]CCc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000817950627 1319474755 /nfs/dbraw/zinc/47/47/55/1319474755.db2.gz ZCHCZFGIDLQZCF-LJQANCHMSA-N 2 0 325.412 3.263 20 5 EGBDRP C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982870 1319485633 /nfs/dbraw/zinc/48/56/33/1319485633.db2.gz IWKJJNQOPHNTCC-DYVFJYSZSA-N 2 0 328.416 3.308 20 5 EGBDRP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000843123245 1321473207 /nfs/dbraw/zinc/47/32/07/1321473207.db2.gz PQAOLTJEDAQLSQ-HXUWFJFHSA-N 2 0 345.490 3.473 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170313554 1384288306 /nfs/dbraw/zinc/28/83/06/1384288306.db2.gz ONHZASUMCVOVGL-OAHLLOKOSA-N 2 0 349.475 3.244 20 5 EGBDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000344190977 164123033 /nfs/dbraw/zinc/12/30/33/164123033.db2.gz YJFCIKOKGMLRMY-KRWDZBQOSA-N 2 0 348.491 3.005 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H]3CC[NH2+]C3)s2)cc1 ZINC000414828058 309104085 /nfs/dbraw/zinc/10/40/85/309104085.db2.gz IHLABQQMAKRNTJ-ZDUSSCGKSA-N 2 0 331.441 3.413 20 5 EGBDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043559 309382672 /nfs/dbraw/zinc/38/26/72/309382672.db2.gz PAGYLDNMSFYCDY-GUYCJALGSA-N 2 0 347.846 3.339 20 5 EGBDRP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000423221157 309391301 /nfs/dbraw/zinc/39/13/01/309391301.db2.gz WLFZSIRBCLKXEL-UOVPBQLFSA-N 2 0 331.460 3.284 20 5 EGBDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212952 310044972 /nfs/dbraw/zinc/04/49/72/310044972.db2.gz UMSMKTSIXNDRNB-IRXDYDNUSA-N 2 0 333.476 3.483 20 5 EGBDRP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000162854885 454804526 /nfs/dbraw/zinc/80/45/26/454804526.db2.gz OYSIRHURNKFESV-BBWFWOEESA-N 2 0 349.475 3.443 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000355757968 457414024 /nfs/dbraw/zinc/41/40/24/457414024.db2.gz VTRJISNSYXCAHJ-UHFFFAOYSA-N 2 0 335.448 3.156 20 5 EGBDRP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000578643113 459235660 /nfs/dbraw/zinc/23/56/60/459235660.db2.gz NOVNTGLJEJMDBG-RKVPGOIHSA-N 2 0 347.459 3.061 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H](CC[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000904404739 1317843183 /nfs/dbraw/zinc/84/31/83/1317843183.db2.gz FHOAPUSBZSLSPX-ZDUSSCGKSA-N 2 0 345.399 3.034 20 5 EGBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262009 1330087067 /nfs/dbraw/zinc/08/70/67/1330087067.db2.gz ZBVHAYIFKNUXIZ-LSDHHAIUSA-N 2 0 337.439 3.375 20 5 EGBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000866394377 1330106062 /nfs/dbraw/zinc/10/60/62/1330106062.db2.gz WYDRINVNYMZQKN-CQSZACIVSA-N 2 0 349.450 3.377 20 5 EGBDRP [NH3+]C[C@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C[C@@H]1O ZINC001206530962 1371085455 /nfs/dbraw/zinc/08/54/55/1371085455.db2.gz YEVSKFUKBWMCNS-DJJJIMSYSA-N 2 0 340.854 3.398 20 5 EGBDRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169030345 1384094894 /nfs/dbraw/zinc/09/48/94/1384094894.db2.gz YXZDQJHTPKXTLT-QUCCMNQESA-N 2 0 345.487 3.418 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170328778 1384292226 /nfs/dbraw/zinc/29/22/26/1384292226.db2.gz MIODTUQRDWWBCJ-HPUBIQBYSA-N 2 0 349.475 3.244 20 5 EGBDRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904728 1384875437 /nfs/dbraw/zinc/87/54/37/1384875437.db2.gz FUZRYLYTXQSKOR-OKZBNKHCSA-N 2 0 331.460 3.305 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000346836760 156158888 /nfs/dbraw/zinc/15/88/88/156158888.db2.gz VOBVDRLQLHLROF-JCGIZDLHSA-N 2 0 341.411 3.414 20 5 EGBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000349155597 156368769 /nfs/dbraw/zinc/36/87/69/156368769.db2.gz WBVXVLYRAKDHSO-HFQYIWAZSA-N 2 0 326.400 3.221 20 5 EGBDRP C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294297725 308207942 /nfs/dbraw/zinc/20/79/42/308207942.db2.gz NBYCUINBDDTDRK-LZWOXQAQSA-N 2 0 346.475 3.481 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]C3)s2)cc1 ZINC000414840258 309104809 /nfs/dbraw/zinc/10/48/09/309104809.db2.gz YJZMWSUKGFQGSL-ZDUSSCGKSA-N 2 0 331.441 3.413 20 5 EGBDRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414898352 309108021 /nfs/dbraw/zinc/10/80/21/309108021.db2.gz SVGIZCZAXXVOSL-GFCCVEGCSA-N 2 0 333.363 3.353 20 5 EGBDRP C[C@]1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414918554 309109232 /nfs/dbraw/zinc/10/92/32/309109232.db2.gz UUJYDNLVEJLSLB-IEZWGBDMSA-N 2 0 331.460 3.285 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415027595 309115250 /nfs/dbraw/zinc/11/52/50/309115250.db2.gz BFTQRDRIZYKGLD-QWHCGFSZSA-N 2 0 345.399 3.080 20 5 EGBDRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1[N+](=O)[O-] ZINC000422923738 309376354 /nfs/dbraw/zinc/37/63/54/309376354.db2.gz WWAAXYUPHALIHW-OLZOCXBDSA-N 2 0 328.416 3.477 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423264411 309393038 /nfs/dbraw/zinc/39/30/38/309393038.db2.gz YRVKHKGCPCQYFX-CABCVRRESA-N 2 0 337.489 3.445 20 5 EGBDRP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423422584 309399678 /nfs/dbraw/zinc/39/96/78/309399678.db2.gz BLRTWQCRLCWDHW-QGTPRVQTSA-N 2 0 329.444 3.295 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000579719031 325150789 /nfs/dbraw/zinc/15/07/89/325150789.db2.gz RGVOJRUPEQIOPY-CABCVRRESA-N 2 0 343.452 3.365 20 5 EGBDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000271874911 455795469 /nfs/dbraw/zinc/79/54/69/455795469.db2.gz YUJBFBYESHZCGJ-UHFFFAOYSA-N 2 0 327.384 3.206 20 5 EGBDRP [NH3+]CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000359470458 457086203 /nfs/dbraw/zinc/08/62/03/457086203.db2.gz FENDNHZDOLTHBJ-IZZDOVSWSA-N 2 0 325.412 3.459 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357087366 457315850 /nfs/dbraw/zinc/31/58/50/457315850.db2.gz NHGKKFRQXGAFQB-MRXNPFEDSA-N 2 0 347.459 3.204 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C[NH+](C)C ZINC000425935399 457655227 /nfs/dbraw/zinc/65/52/27/457655227.db2.gz DCVPLZFCQJRWCW-UONOGXRCSA-N 2 0 325.478 3.253 20 5 EGBDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369946 458123082 /nfs/dbraw/zinc/12/30/82/458123082.db2.gz GVPLOVIVPVINJF-CHWSQXEVSA-N 2 0 331.441 3.492 20 5 EGBDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435374015 458124485 /nfs/dbraw/zinc/12/44/85/458124485.db2.gz PAAOFCJLAFHTRR-JSGCOSHPSA-N 2 0 331.441 3.492 20 5 EGBDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580197 458314478 /nfs/dbraw/zinc/31/44/78/458314478.db2.gz NNHLEIHVQYSXIH-HZPDHXFCSA-N 2 0 349.479 3.128 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423445345 458434805 /nfs/dbraw/zinc/43/48/05/458434805.db2.gz RUQBYVDGAPSVGX-HRCADAONSA-N 2 0 349.500 3.443 20 5 EGBDRP [NH3+]CCC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000577956387 459123822 /nfs/dbraw/zinc/12/38/22/459123822.db2.gz AIWCZQNQYOUAFO-UHFFFAOYSA-N 2 0 329.400 3.416 20 5 EGBDRP O=[N+]([O-])c1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000594969542 459199789 /nfs/dbraw/zinc/19/97/89/459199789.db2.gz QIPWHWNURKJSCU-UHFFFAOYSA-N 2 0 346.456 3.053 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264425 1297397193 /nfs/dbraw/zinc/39/71/93/1297397193.db2.gz PHDJKZRDOMNDDV-AEIBSFOJSA-N 2 0 343.471 3.426 20 5 EGBDRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580611 1304174030 /nfs/dbraw/zinc/17/40/30/1304174030.db2.gz XFRVAFYMWSQFIT-IBGZPJMESA-N 2 0 349.475 3.072 20 5 EGBDRP CSC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC[NH+](C)CC1 ZINC000810171155 1317968288 /nfs/dbraw/zinc/96/82/88/1317968288.db2.gz VJVOKXNSOINWHD-UHFFFAOYSA-N 2 0 343.880 3.165 20 5 EGBDRP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 ZINC000811478708 1318182625 /nfs/dbraw/zinc/18/26/25/1318182625.db2.gz NGUFAQQEXGFVGU-UHFFFAOYSA-N 2 0 332.231 3.333 20 5 EGBDRP [NH3+]C[C@]1(F)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205579157 1370799012 /nfs/dbraw/zinc/79/90/12/1370799012.db2.gz KWZQREKQXYREHI-FQEVSTJZSA-N 2 0 338.430 3.436 20 5 EGBDRP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999469 1384082602 /nfs/dbraw/zinc/08/26/02/1384082602.db2.gz UFIJSEJFDRITDN-UONOGXRCSA-N 2 0 337.851 3.035 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999444 1384082612 /nfs/dbraw/zinc/08/26/12/1384082612.db2.gz TZIGSGGGULBMOM-CADBVGFASA-N 2 0 331.460 3.204 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000869 1384084359 /nfs/dbraw/zinc/08/43/59/1384084359.db2.gz YZEXOACFLYXCER-OWYHZJEWSA-N 2 0 349.450 3.343 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]CCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170313459 1384288778 /nfs/dbraw/zinc/28/87/78/1384288778.db2.gz NGLBKDRPYPGBPY-INIZCTEOSA-N 2 0 349.475 3.390 20 5 EGBDRP CCC[N@H+](CCC[NH+](C)C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353808 1384299070 /nfs/dbraw/zinc/29/90/70/1384299070.db2.gz FIPWDGPVXGVRKA-OAHLLOKOSA-N 2 0 337.464 3.198 20 5 EGBDRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908110 1384875455 /nfs/dbraw/zinc/87/54/55/1384875455.db2.gz AVLIAAISAOLEPW-SFHVURJKSA-N 2 0 331.460 3.116 20 5 EGBDRP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910462 1384876152 /nfs/dbraw/zinc/87/61/52/1384876152.db2.gz ALODKAWPSHRODD-GOSISDBHSA-N 2 0 331.460 3.260 20 5 EGBDRP Cc1cc(N2CC[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC001173237753 1384943174 /nfs/dbraw/zinc/94/31/74/1384943174.db2.gz LZZJKLASFRNHTJ-MRXNPFEDSA-N 2 0 340.427 3.051 20 5 EGBDRP O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192924387 153266891 /nfs/dbraw/zinc/26/68/91/153266891.db2.gz VRYKOXNVMSIIQQ-GOSISDBHSA-N 2 0 325.412 3.207 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000346821587 156152983 /nfs/dbraw/zinc/15/29/83/156152983.db2.gz IUEWYBKHYQTBEX-RRQGHBQHSA-N 2 0 327.384 3.024 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843527 309105006 /nfs/dbraw/zinc/10/50/06/309105006.db2.gz QCWHAXGXLKDZNC-BQFCYCMXSA-N 2 0 331.460 3.285 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414999397 309113424 /nfs/dbraw/zinc/11/34/24/309113424.db2.gz RYGCERRWDLZMTC-ZOAWGKMGSA-N 2 0 343.471 3.412 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218634 309391051 /nfs/dbraw/zinc/39/10/51/309391051.db2.gz SDGXKYCVZGZDLA-SOUVJXGZSA-N 2 0 337.489 3.443 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423432857 309400182 /nfs/dbraw/zinc/40/01/82/309400182.db2.gz JMBAOVJRXPSOIM-VBNZEHGJSA-N 2 0 333.432 3.032 20 5 EGBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449101612 310037156 /nfs/dbraw/zinc/03/71/56/310037156.db2.gz FYYISUNYANEUIZ-YESZJQIVSA-N 2 0 349.475 3.005 20 5 EGBDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490030514 311130276 /nfs/dbraw/zinc/13/02/76/311130276.db2.gz LVRNYVNYTPLMKS-AEFFLSMTSA-N 2 0 349.475 3.397 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000571561704 317216662 /nfs/dbraw/zinc/21/66/62/317216662.db2.gz VDTKEACYDGNZEI-NEPJUHHUSA-N 2 0 333.388 3.079 20 5 EGBDRP C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000255288371 455863354 /nfs/dbraw/zinc/86/33/54/455863354.db2.gz QXCFVDDCZXEJEN-MTWCHYJXSA-N 2 0 326.400 3.388 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272536550 455986054 /nfs/dbraw/zinc/98/60/54/455986054.db2.gz KAOMAUAFMAHZAP-AWEZNQCLSA-N 2 0 335.448 3.376 20 5 EGBDRP Cc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277198404 456720993 /nfs/dbraw/zinc/72/09/93/456720993.db2.gz PJCUUCGJWSJXIA-CQSZACIVSA-N 2 0 328.416 3.372 20 5 EGBDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347069994 457215296 /nfs/dbraw/zinc/21/52/96/457215296.db2.gz PCKKGRIZNQAYCR-DZGCQCFKSA-N 2 0 329.400 3.414 20 5 EGBDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495431168 458854408 /nfs/dbraw/zinc/85/44/08/458854408.db2.gz BBEQUAKWYCWIBD-WFASDCNBSA-N 2 0 325.840 3.111 20 5 EGBDRP [NH3+]CCC1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000578197383 459161005 /nfs/dbraw/zinc/16/10/05/459161005.db2.gz IQWYTAYZSXYDRU-UHFFFAOYSA-N 2 0 346.456 3.279 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCCC[NH+]1CCCC1)CC2 ZINC001172897612 1384873486 /nfs/dbraw/zinc/87/34/86/1384873486.db2.gz BFEBUBMHHPZYSM-SFHVURJKSA-N 2 0 331.460 3.308 20 5 EGBDRP C[NH+](C)C1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910981 1384876020 /nfs/dbraw/zinc/87/60/20/1384876020.db2.gz FUZRYLYTXQSKOR-WWDZGPRUSA-N 2 0 331.460 3.305 20 5 EGBDRP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246840479 141038125 /nfs/dbraw/zinc/03/81/25/141038125.db2.gz ORESVFSAKUYRPP-LPHOPBHVSA-N 2 0 329.444 3.086 20 5 EGBDRP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000295949798 308377999 /nfs/dbraw/zinc/37/79/99/308377999.db2.gz IMWXQNPUJIWXCA-AGUYFDCRSA-N 2 0 326.400 3.489 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414811787 309103022 /nfs/dbraw/zinc/10/30/22/309103022.db2.gz WNDMGXMGAMPRLG-YOEHRIQHSA-N 2 0 329.400 3.462 20 5 EGBDRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414989863 309113034 /nfs/dbraw/zinc/11/30/34/309113034.db2.gz HPARJVJRVIFJIZ-UKRRQHHQSA-N 2 0 329.400 3.462 20 5 EGBDRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000420403508 309286614 /nfs/dbraw/zinc/28/66/14/309286614.db2.gz LAMZUWNWJBASNI-PBHICJAKSA-N 2 0 343.427 3.305 20 5 EGBDRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000423221155 309390977 /nfs/dbraw/zinc/39/09/77/309390977.db2.gz WLFZSIRBCLKXEL-CIRFHOKZSA-N 2 0 331.460 3.284 20 5 EGBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433296682 309685110 /nfs/dbraw/zinc/68/51/10/309685110.db2.gz SYSXTQDWIXSSEF-QAPCUYQASA-N 2 0 349.475 3.264 20 5 EGBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000075675905 453916464 /nfs/dbraw/zinc/91/64/64/453916464.db2.gz PUWHLLUIRDXESJ-INIZCTEOSA-N 2 0 347.459 3.090 20 5 EGBDRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154503185 454902176 /nfs/dbraw/zinc/90/21/76/454902176.db2.gz XAVZIXPJDBAXEW-IBGZPJMESA-N 2 0 348.491 3.053 20 5 EGBDRP CC[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCC1 ZINC000151660501 455013774 /nfs/dbraw/zinc/01/37/74/455013774.db2.gz FEWOMJXJFKKKIL-ROUUACIJSA-N 2 0 331.460 3.380 20 5 EGBDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245468230 455309400 /nfs/dbraw/zinc/30/94/00/455309400.db2.gz SUAGQLDGADRDOI-OWCLPIDISA-N 2 0 335.448 3.135 20 5 EGBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000246943903 455537666 /nfs/dbraw/zinc/53/76/66/455537666.db2.gz GZPIOFKOJAAJIY-RCCFBDPRSA-N 2 0 331.460 3.378 20 5 EGBDRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271873365 455794784 /nfs/dbraw/zinc/79/47/84/455794784.db2.gz NKBNYZCSAKTSNC-WMZOPIPTSA-N 2 0 329.444 3.158 20 5 EGBDRP C[NH+]1CCC(C)(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000272562442 455994017 /nfs/dbraw/zinc/99/40/17/455994017.db2.gz NWBJNQAHLOKAMM-KRWDZBQOSA-N 2 0 331.460 3.237 20 5 EGBDRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000290574208 456369967 /nfs/dbraw/zinc/36/99/67/456369967.db2.gz UANRJTBIDHEGCM-JXTAAOLFSA-N 2 0 329.444 3.272 20 5 EGBDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599070098 460150153 /nfs/dbraw/zinc/15/01/53/460150153.db2.gz KUODJMAQTKOPFQ-QAPCUYQASA-N 2 0 331.460 3.237 20 5 EGBDRP C[C@@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000873220116 1297361432 /nfs/dbraw/zinc/36/14/32/1297361432.db2.gz JWAFOMSNVNROQE-HFTRVMKXSA-N 2 0 331.460 3.284 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000798956643 1310463806 /nfs/dbraw/zinc/46/38/06/1310463806.db2.gz IAVBQBDXIPMONK-UHFFFAOYSA-N 2 0 347.459 3.301 20 5 EGBDRP C[NH+]1CC2(C1)CC[NH+](Cc1ccc3ccc4cccnc4c3n1)CC2 ZINC001232225799 1376419841 /nfs/dbraw/zinc/41/98/41/1376419841.db2.gz PSSXDFCWIWQQCQ-UHFFFAOYSA-N 2 0 332.451 3.311 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001168982912 1384078620 /nfs/dbraw/zinc/07/86/20/1384078620.db2.gz JEWSWXIUMXEFRN-LJDSDSDDSA-N 2 0 343.471 3.217 20 5 EGBDRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908108 1384875329 /nfs/dbraw/zinc/87/53/29/1384875329.db2.gz AVLIAAISAOLEPW-GOSISDBHSA-N 2 0 331.460 3.116 20 5 EGBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC[C@H]2CCC[NH2+]2)o1 ZINC000414962234 309111747 /nfs/dbraw/zinc/11/17/47/309111747.db2.gz BWRKAGBEQPEABL-AWEZNQCLSA-N 2 0 329.400 3.477 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414986006 309112851 /nfs/dbraw/zinc/11/28/51/309112851.db2.gz GUMOXVJIQYDKJG-QCDJMGEHSA-N 2 0 341.411 3.460 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)o2)cc1 ZINC000415009311 309114139 /nfs/dbraw/zinc/11/41/39/309114139.db2.gz NVVZGYBBWOOLQI-ZWKOTPCHSA-N 2 0 341.411 3.333 20 5 EGBDRP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000420403513 309286761 /nfs/dbraw/zinc/28/67/61/309286761.db2.gz LAMZUWNWJBASNI-RHSMWYFYSA-N 2 0 343.427 3.305 20 5 EGBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000449101611 310037246 /nfs/dbraw/zinc/03/72/46/310037246.db2.gz FYYISUNYANEUIZ-IKGGRYGDSA-N 2 0 349.475 3.005 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC[NH+](C)C ZINC000504900509 312012019 /nfs/dbraw/zinc/01/20/19/312012019.db2.gz ZBSWBLULFDKUBR-KGLIPLIRSA-N 2 0 325.478 3.395 20 5 EGBDRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000173364823 455273995 /nfs/dbraw/zinc/27/39/95/455273995.db2.gz BZMNEQQMPKUBOR-OAHLLOKOSA-N 2 0 343.427 3.386 20 5 EGBDRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000173364811 455274139 /nfs/dbraw/zinc/27/41/39/455274139.db2.gz BZMNEQQMPKUBOR-HNNXBMFYSA-N 2 0 343.427 3.386 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600678629 460566660 /nfs/dbraw/zinc/56/66/60/460566660.db2.gz NQXPYVYMTIZHNL-QILLFSRXSA-N 2 0 329.444 3.180 20 5 EGBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000162854769 454804735 /nfs/dbraw/zinc/80/47/35/454804735.db2.gz OYSIRHURNKFESV-IXDOHACOSA-N 2 0 349.475 3.443 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153604018 454811673 /nfs/dbraw/zinc/81/16/73/454811673.db2.gz IBAVDHDBGSDTMG-AWEZNQCLSA-N 2 0 335.448 3.376 20 5 EGBDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178039635 454929436 /nfs/dbraw/zinc/92/94/36/454929436.db2.gz OCPBTNRUOPHABC-XHSDSOJGSA-N 2 0 335.448 3.135 20 5 EGBDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271873362 455794999 /nfs/dbraw/zinc/79/49/99/455794999.db2.gz NKBNYZCSAKTSNC-SJLPKXTDSA-N 2 0 329.444 3.158 20 5 EGBDRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000261618461 455914641 /nfs/dbraw/zinc/91/46/41/455914641.db2.gz BYPLFNMZYDUZCS-KRWDZBQOSA-N 2 0 331.441 3.494 20 5 EGBDRP Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302106446 456289262 /nfs/dbraw/zinc/28/92/62/456289262.db2.gz XUGUDIHNBQUNBJ-RDTXWAMCSA-N 2 0 340.427 3.372 20 5 EGBDRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347073664 457217810 /nfs/dbraw/zinc/21/78/10/457217810.db2.gz RUPLYEULISAQDP-UONOGXRCSA-N 2 0 329.400 3.414 20 5 EGBDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435386949 458131723 /nfs/dbraw/zinc/13/17/23/458131723.db2.gz ZGMLHZHZAUGVGA-ZDUSSCGKSA-N 2 0 331.441 3.365 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595001157 459211776 /nfs/dbraw/zinc/21/17/76/459211776.db2.gz RVWBKRPJBKUQEC-UHFFFAOYSA-N 2 0 347.459 3.205 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433672 459599775 /nfs/dbraw/zinc/59/97/75/459599775.db2.gz PEXDCNMOCBTFAM-HOTGVXAUSA-N 2 0 347.459 3.205 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000593322535 459841364 /nfs/dbraw/zinc/84/13/64/459841364.db2.gz OIRSFMJPTQDQPL-SJLPKXTDSA-N 2 0 331.460 3.285 20 5 EGBDRP CN(CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CCCC1 ZINC000133302284 1293741333 /nfs/dbraw/zinc/74/13/33/1293741333.db2.gz ZJJNZYJSHXDTGE-UHFFFAOYSA-N 2 0 346.475 3.028 20 5 EGBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525023 1305963106 /nfs/dbraw/zinc/96/31/06/1305963106.db2.gz AVCZHKAHUDWWIB-CABCVRRESA-N 2 0 334.464 3.340 20 5 EGBDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903793936 1317736652 /nfs/dbraw/zinc/73/66/52/1317736652.db2.gz KDQVGSTUVMYJKH-UHFFFAOYSA-N 2 0 325.412 3.087 20 5 EGBDRP O=[N+]([O-])CC[NH2+]Cc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000905027181 1317915864 /nfs/dbraw/zinc/91/58/64/1317915864.db2.gz VSMBYEBOYDRCHC-UHFFFAOYSA-N 2 0 339.439 3.316 20 5 EGBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559752 1319014567 /nfs/dbraw/zinc/01/45/67/1319014567.db2.gz PFVOASKBXZMGHK-CABCVRRESA-N 2 0 334.464 3.482 20 5 EGBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000843127257 1321474267 /nfs/dbraw/zinc/47/42/67/1321474267.db2.gz PCPIFSKDNDETND-LSDHHAIUSA-N 2 0 337.851 3.460 20 5 EGBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001157097412 1380775170 /nfs/dbraw/zinc/77/51/70/1380775170.db2.gz VWHOYORJUWKVCI-UHFFFAOYSA-N 2 0 342.834 3.112 20 5 EGBDRP CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001160735738 1382181796 /nfs/dbraw/zinc/18/17/96/1382181796.db2.gz YFRYRAMIXTWTQC-FQEVSTJZSA-N 2 0 335.451 3.018 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999445 1384082734 /nfs/dbraw/zinc/08/27/34/1384082734.db2.gz TZIGSGGGULBMOM-MKXGPGLRSA-N 2 0 331.460 3.204 20 5 EGBDRP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169022545 1384092228 /nfs/dbraw/zinc/09/22/28/1384092228.db2.gz CSWAZHYFUUMAPA-PKOBYXMFSA-N 2 0 331.460 3.028 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329325 1384292828 /nfs/dbraw/zinc/29/28/28/1384292828.db2.gz OMYPATNMJDHEOF-RLFYNMQTSA-N 2 0 349.475 3.243 20 5 EGBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904022 1384874570 /nfs/dbraw/zinc/87/45/70/1384874570.db2.gz VEDOKFFWDHEDLD-RCCFBDPRSA-N 2 0 331.460 3.305 20 5 EGBDRP Cc1c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000336880608 163086956 /nfs/dbraw/zinc/08/69/56/163086956.db2.gz RDUMYNJBYISYEG-UHFFFAOYSA-N 2 0 326.400 3.057 20 5 EGBDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000350227880 279110842 /nfs/dbraw/zinc/11/08/42/279110842.db2.gz WTBSWPFOSNWXCG-HOTGVXAUSA-N 2 0 335.448 3.089 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]12 ZINC000414670814 309094637 /nfs/dbraw/zinc/09/46/37/309094637.db2.gz NAVKNEBUQHJFKF-DAXOMENPSA-N 2 0 343.452 3.492 20 5 EGBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000414766579 309099502 /nfs/dbraw/zinc/09/95/02/309099502.db2.gz HXZPBNUNOJXDIO-GASCZTMLSA-N 2 0 341.411 3.286 20 5 EGBDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414799103 309102311 /nfs/dbraw/zinc/10/23/11/309102311.db2.gz JLHPMKZYOTWXNF-CZUORRHYSA-N 2 0 329.400 3.462 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414922128 309109487 /nfs/dbraw/zinc/10/94/87/309109487.db2.gz GLSLDYVIPAKWFV-CHWSQXEVSA-N 2 0 345.399 3.223 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)cs2)c1 ZINC000414969099 309112169 /nfs/dbraw/zinc/11/21/69/309112169.db2.gz IRLMXONFDDNOEE-CQSZACIVSA-N 2 0 346.456 3.340 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000415126980 309122418 /nfs/dbraw/zinc/12/24/18/309122418.db2.gz MREUZMYRPOFKOS-UKRRQHHQSA-N 2 0 329.400 3.272 20 5 EGBDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423047108 309382727 /nfs/dbraw/zinc/38/27/27/309382727.db2.gz UVCPBYFGQIAHED-LLVKDONJSA-N 2 0 348.834 3.304 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218632 309390957 /nfs/dbraw/zinc/39/09/57/309390957.db2.gz SDGXKYCVZGZDLA-RBSFLKMASA-N 2 0 337.489 3.443 20 5 EGBDRP CCC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423386808 309398100 /nfs/dbraw/zinc/39/81/00/309398100.db2.gz JQDLBGVXXMHNLF-QGZVFWFLSA-N 2 0 335.448 3.042 20 5 EGBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000449222967 310045819 /nfs/dbraw/zinc/04/58/19/310045819.db2.gz XJZNSAJAZUGMJB-OAHLLOKOSA-N 2 0 327.428 3.377 20 5 EGBDRP CC[NH+](CC)[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302194982 456314028 /nfs/dbraw/zinc/31/40/28/456314028.db2.gz SIEGOQAXJRPZQT-HNNXBMFYSA-N 2 0 328.416 3.372 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000373113177 458400480 /nfs/dbraw/zinc/40/04/80/458400480.db2.gz SGKMQKLTVWTGEY-AWEZNQCLSA-N 2 0 344.415 3.107 20 5 EGBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000595052437 459229162 /nfs/dbraw/zinc/22/91/62/459229162.db2.gz WVLYWCBLSYLZEK-ZDUSSCGKSA-N 2 0 333.432 3.128 20 5 EGBDRP CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000592427535 459598545 /nfs/dbraw/zinc/59/85/45/459598545.db2.gz AMIIYOQNZAZLEF-CZUORRHYSA-N 2 0 329.400 3.414 20 5 EGBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000866249839 1330085331 /nfs/dbraw/zinc/08/53/31/1330085331.db2.gz OSEQZDOYDIFWME-CYBMUJFWSA-N 2 0 335.423 3.271 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168958042 1384070766 /nfs/dbraw/zinc/07/07/66/1384070766.db2.gz LEKWRGBMRILNCJ-VQTJNVASSA-N 2 0 345.487 3.324 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001168982914 1384078824 /nfs/dbraw/zinc/07/88/24/1384078824.db2.gz JEWSWXIUMXEFRN-WAPOTWQKSA-N 2 0 343.471 3.217 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997733 1384082560 /nfs/dbraw/zinc/08/25/60/1384082560.db2.gz FGAOFLODUARSPD-OWYHZJEWSA-N 2 0 349.450 3.343 20 5 EGBDRP COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@H](CCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC001170326144 1384291569 /nfs/dbraw/zinc/29/15/69/1384291569.db2.gz FKCKVXYARBCGTP-JKSUJKDBSA-N 2 0 349.475 3.375 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC001172911615 1384875779 /nfs/dbraw/zinc/87/57/79/1384875779.db2.gz KOSDIKOIUWSOBE-QGZVFWFLSA-N 2 0 343.471 3.449 20 5 EGBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000346848814 156162449 /nfs/dbraw/zinc/16/24/49/156162449.db2.gz RLMORLSAEQEMGL-ZTFGCOKTSA-N 2 0 341.411 3.414 20 5 EGBDRP Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000131257884 162395902 /nfs/dbraw/zinc/39/59/02/162395902.db2.gz QPXIBGCMGRMTAT-ZDUSSCGKSA-N 2 0 348.834 3.436 20 5 EGBDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347073661 274240591 /nfs/dbraw/zinc/24/05/91/274240591.db2.gz RUPLYEULISAQDP-KGLIPLIRSA-N 2 0 329.400 3.414 20 5 EGBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414172162 309064612 /nfs/dbraw/zinc/06/46/12/309064612.db2.gz FBMYVLHMTSTYBA-QAPCUYQASA-N 2 0 331.460 3.237 20 5 EGBDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294297728 308207964 /nfs/dbraw/zinc/20/79/64/308207964.db2.gz NBYCUINBDDTDRK-OFQRWUPVSA-N 2 0 346.475 3.481 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]12 ZINC000414669466 309094694 /nfs/dbraw/zinc/09/46/94/309094694.db2.gz KOASZKSHRQENJV-KBRIMQKVSA-N 2 0 343.452 3.492 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@H](C)CCC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415022365 309114771 /nfs/dbraw/zinc/11/47/71/309114771.db2.gz LMHDMSRMVQFBIY-GFCCVEGCSA-N 2 0 333.388 3.080 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000417331899 309202063 /nfs/dbraw/zinc/20/20/63/309202063.db2.gz WOTFJISLTJNDKU-IFXJQAMLSA-N 2 0 329.444 3.436 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423418196 309399399 /nfs/dbraw/zinc/39/93/99/309399399.db2.gz GZYCMZOFFYRVCI-RBSFLKMASA-N 2 0 335.448 3.409 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536858822 314150363 /nfs/dbraw/zinc/15/03/63/314150363.db2.gz SIEDCJJGNUDLLX-IXDOHACOSA-N 2 0 349.475 3.443 20 5 EGBDRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075007769 454673292 /nfs/dbraw/zinc/67/32/92/454673292.db2.gz ZASPOVUMLXJQPN-INIZCTEOSA-N 2 0 349.475 3.479 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435368637 458120212 /nfs/dbraw/zinc/12/02/12/458120212.db2.gz BXWKQNSRQJZGHH-OLZOCXBDSA-N 2 0 345.399 3.033 20 5 EGBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000468653410 458529921 /nfs/dbraw/zinc/52/99/21/458529921.db2.gz OVFLZRQMZIEQAX-PTNGSMBKSA-N 2 0 329.444 3.462 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736237 459967406 /nfs/dbraw/zinc/96/74/06/459967406.db2.gz KHQKOXUBOXQTHN-GGXPGOJBSA-N 2 0 347.459 3.183 20 5 EGBDRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602587189 460011994 /nfs/dbraw/zinc/01/19/94/460011994.db2.gz PKRQDLAVHKKMKR-ZDUSSCGKSA-N 2 0 334.420 3.336 20 5 EGBDRP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000178037415 533942957 /nfs/dbraw/zinc/94/29/57/533942957.db2.gz YLUZKVIDHRSCHL-HLLBOEOZSA-N 2 0 349.475 3.443 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000152865310 528596056 /nfs/dbraw/zinc/59/60/56/528596056.db2.gz UGUSMMHSVRWPLY-ZIAGYGMSSA-N 2 0 333.432 3.128 20 5 EGBDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788673903 1305994104 /nfs/dbraw/zinc/99/41/04/1305994104.db2.gz YVVKTFPLDFVWMG-LSDHHAIUSA-N 2 0 334.464 3.196 20 5 EGBDRP C[N@@H+](Cc1c2ccccc2c(Cl)c2ccccc21)C[C@@H](O)C[NH3+] ZINC000841091858 1321217191 /nfs/dbraw/zinc/21/71/91/1321217191.db2.gz HTXNSVAGKAPSTF-ZDUSSCGKSA-N 2 0 328.843 3.398 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]CCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170317374 1384289345 /nfs/dbraw/zinc/28/93/45/1384289345.db2.gz GZGJUNUZHHGLRK-HNNXBMFYSA-N 2 0 349.475 3.246 20 5 EGBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904019 1384874662 /nfs/dbraw/zinc/87/46/62/1384874662.db2.gz VEDOKFFWDHEDLD-FGTMMUONSA-N 2 0 331.460 3.305 20 5 EGBDRP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279075017 275301661 /nfs/dbraw/zinc/30/16/61/275301661.db2.gz MBMRLJBLLSZWAX-FZKQIMNGSA-N 2 0 329.444 3.391 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000414669471 309094670 /nfs/dbraw/zinc/09/46/70/309094670.db2.gz KOASZKSHRQENJV-XOKHGSTOSA-N 2 0 343.452 3.492 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)s2)cc1 ZINC000414840256 309104912 /nfs/dbraw/zinc/10/49/12/309104912.db2.gz YJZMWSUKGFQGSL-CYBMUJFWSA-N 2 0 331.441 3.413 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969256 309112179 /nfs/dbraw/zinc/11/21/79/309112179.db2.gz SSOGZUFFNKZIOH-RYQLBKOJSA-N 2 0 331.460 3.428 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414989861 309113087 /nfs/dbraw/zinc/11/30/87/309113087.db2.gz HPARJVJRVIFJIZ-DZGCQCFKSA-N 2 0 329.400 3.462 20 5 EGBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423399046 309398554 /nfs/dbraw/zinc/39/85/54/309398554.db2.gz UMUVCDPFZMCNOV-CQSZACIVSA-N 2 0 325.412 3.309 20 5 EGBDRP C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000255288370 455863683 /nfs/dbraw/zinc/86/36/83/455863683.db2.gz QXCFVDDCZXEJEN-CLUARGJDSA-N 2 0 326.400 3.388 20 5 EGBDRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000261618462 455914909 /nfs/dbraw/zinc/91/49/09/455914909.db2.gz BYPLFNMZYDUZCS-QGZVFWFLSA-N 2 0 331.441 3.494 20 5 EGBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432369821 458726836 /nfs/dbraw/zinc/72/68/36/458726836.db2.gz XIAQUSKELMGPSC-MOKGIYGOSA-N 2 0 347.459 3.089 20 5 EGBDRP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492592 459613402 /nfs/dbraw/zinc/61/34/02/459613402.db2.gz BGIIZXHSFZDHPD-ZIAGYGMSSA-N 2 0 337.851 3.460 20 5 EGBDRP Cc1c(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000873029323 1297233266 /nfs/dbraw/zinc/23/32/66/1297233266.db2.gz BXIMFYJTLYJRSW-UHFFFAOYSA-N 2 0 343.427 3.133 20 5 EGBDRP O=[N+]([O-])c1cc(CN2CCCN(c3cc[nH+]cc3)CC2)ccc1Cl ZINC000878748394 1300172607 /nfs/dbraw/zinc/17/26/07/1300172607.db2.gz WIYMVMCSNDADGE-UHFFFAOYSA-N 2 0 346.818 3.356 20 5 EGBDRP O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000895473960 1309356345 /nfs/dbraw/zinc/35/63/45/1309356345.db2.gz RULYCWVARJJJGE-UHFFFAOYSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000838979212 1320846293 /nfs/dbraw/zinc/84/62/93/1320846293.db2.gz AMHWSTMOWIGQEJ-UHFFFAOYSA-N 2 0 346.818 3.402 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000843127902 1321474077 /nfs/dbraw/zinc/47/40/77/1321474077.db2.gz UICDNCUMXDJEDY-UONOGXRCSA-N 2 0 337.851 3.460 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170315837 1384289061 /nfs/dbraw/zinc/28/90/61/1384289061.db2.gz YOCOJZFJOOBBCH-CQSZACIVSA-N 2 0 347.459 3.141 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]12 ZINC000346821582 156149882 /nfs/dbraw/zinc/14/98/82/156149882.db2.gz IUEWYBKHYQTBEX-IAOVAPTHSA-N 2 0 327.384 3.024 20 5 EGBDRP COc1ccc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000123343744 222261460 /nfs/dbraw/zinc/26/14/60/222261460.db2.gz XCEDUSHNSQQDLS-UHFFFAOYSA-N 2 0 335.448 3.157 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195402 309066290 /nfs/dbraw/zinc/06/62/90/309066290.db2.gz UUSOJPOZHOJYRC-GJZGRUSLSA-N 2 0 335.448 3.376 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414655983 309093798 /nfs/dbraw/zinc/09/37/98/309093798.db2.gz DYEXMJBACXTTFK-STQMWFEESA-N 2 0 345.399 3.033 20 5 EGBDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414792746 309101622 /nfs/dbraw/zinc/10/16/22/309101622.db2.gz CTNDMWRWZNJTFU-RHSMWYFYSA-N 2 0 329.400 3.462 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414792748 309101625 /nfs/dbraw/zinc/10/16/25/309101625.db2.gz CTNDMWRWZNJTFU-YOEHRIQHSA-N 2 0 329.400 3.462 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@H](C)CCCC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415021939 309114819 /nfs/dbraw/zinc/11/48/19/309114819.db2.gz YZTRBJHZOJOMHF-CYBMUJFWSA-N 2 0 347.415 3.471 20 5 EGBDRP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433225451 309682812 /nfs/dbraw/zinc/68/28/12/309682812.db2.gz BTKICJXWYTVSNP-GOSISDBHSA-N 2 0 349.475 3.265 20 5 EGBDRP COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157258459 455177082 /nfs/dbraw/zinc/17/70/82/455177082.db2.gz ZILDHGHCLTZCAR-MRXNPFEDSA-N 2 0 333.432 3.054 20 5 EGBDRP CCC[C@H](NC[C@H](O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000158937524 455339000 /nfs/dbraw/zinc/33/90/00/455339000.db2.gz KIVKAFADOIDNGN-OALUTQOASA-N 2 0 349.475 3.118 20 5 EGBDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000271866071 455792616 /nfs/dbraw/zinc/79/26/16/455792616.db2.gz WFNGPNQLCDHJJM-UHFFFAOYSA-N 2 0 327.384 3.206 20 5 EGBDRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000297404098 456211556 /nfs/dbraw/zinc/21/15/56/456211556.db2.gz KRJREEUPZAVUEP-AWEZNQCLSA-N 2 0 326.400 3.309 20 5 EGBDRP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601131937 460724167 /nfs/dbraw/zinc/72/41/67/460724167.db2.gz RVXXHXFZODSMIA-DYVFJYSZSA-N 2 0 326.400 3.064 20 5 EGBDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000347114517 457237181 /nfs/dbraw/zinc/23/71/81/457237181.db2.gz TYCXJWSWNOSWNP-ZDUSSCGKSA-N 2 0 329.400 3.414 20 5 EGBDRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435374017 458124773 /nfs/dbraw/zinc/12/47/73/458124773.db2.gz PAAOFCJLAFHTRR-TZMCWYRMSA-N 2 0 331.441 3.492 20 5 EGBDRP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CCC[NH2+]CC1 ZINC000435432043 458144824 /nfs/dbraw/zinc/14/48/24/458144824.db2.gz HGHALUDDCPUFRK-AWEZNQCLSA-N 2 0 329.400 3.429 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591281863 459347101 /nfs/dbraw/zinc/34/71/01/459347101.db2.gz PYAUHVKRYBDISL-QILLFSRXSA-N 2 0 329.444 3.038 20 5 EGBDRP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000592470704 459609134 /nfs/dbraw/zinc/60/91/34/459609134.db2.gz DVSXKZFBDAPEMN-MBNYWOFBSA-N 2 0 343.349 3.091 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264427 1297396248 /nfs/dbraw/zinc/39/62/48/1297396248.db2.gz PHDJKZRDOMNDDV-NXJYUQPGSA-N 2 0 343.471 3.426 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000873264064 1297396324 /nfs/dbraw/zinc/39/63/24/1297396324.db2.gz NIGNJEVCCYTZIG-UGQVUOCMSA-N 2 0 333.432 3.175 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)cc1CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000878744572 1300171648 /nfs/dbraw/zinc/17/16/48/1300171648.db2.gz UUZYLNKEIPOXFO-UHFFFAOYSA-N 2 0 346.818 3.356 20 5 EGBDRP CC[N+](C)(C)Cc1ccccc1-n1cc(CC[NH3+])c2cc(O)ccc21 ZINC001167985155 1383787265 /nfs/dbraw/zinc/78/72/65/1383787265.db2.gz AKCDTBNFTNHMSG-UHFFFAOYSA-O 2 0 338.475 3.434 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170307593 1384287229 /nfs/dbraw/zinc/28/72/29/1384287229.db2.gz HWVSWCMQCWLLRE-HOTGVXAUSA-N 2 0 349.475 3.389 20 5 EGBDRP [NH3+]Cc1ccccc1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902587 1384875165 /nfs/dbraw/zinc/87/51/65/1384875165.db2.gz KVCANOLJUWGRRV-SFHVURJKSA-N 2 0 325.412 3.091 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000346848813 156163139 /nfs/dbraw/zinc/16/31/39/156163139.db2.gz RLMORLSAEQEMGL-JCGIZDLHSA-N 2 0 341.411 3.414 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414969257 309112238 /nfs/dbraw/zinc/11/22/38/309112238.db2.gz SSOGZUFFNKZIOH-SZMVWBNQSA-N 2 0 331.460 3.428 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000417331895 309202038 /nfs/dbraw/zinc/20/20/38/309202038.db2.gz WOTFJISLTJNDKU-AUUYWEPGSA-N 2 0 329.444 3.436 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000571561706 317216563 /nfs/dbraw/zinc/21/65/63/317216563.db2.gz VDTKEACYDGNZEI-NWDGAFQWSA-N 2 0 333.388 3.079 20 5 EGBDRP Cc1c([C@@H](C)[NH2+]CCc2cn3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000152778399 454725121 /nfs/dbraw/zinc/72/51/21/454725121.db2.gz KOGIMPWMLYIQSC-CQSZACIVSA-N 2 0 328.416 3.329 20 5 EGBDRP C[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000125295188 454812437 /nfs/dbraw/zinc/81/24/37/454812437.db2.gz ZXRFMVHCNUCDGI-GOSISDBHSA-N 2 0 331.460 3.237 20 5 EGBDRP C[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000125294985 454813005 /nfs/dbraw/zinc/81/30/05/454813005.db2.gz ZXRFMVHCNUCDGI-SFHVURJKSA-N 2 0 331.460 3.237 20 5 EGBDRP CCOc1cc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276841316 456596635 /nfs/dbraw/zinc/59/66/35/456596635.db2.gz CKHDXJOEQKBVPP-QGZVFWFLSA-N 2 0 347.459 3.444 20 5 EGBDRP CSC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000353654014 456832619 /nfs/dbraw/zinc/83/26/19/456832619.db2.gz ZHFZDXSIIMTSRO-AWEZNQCLSA-N 2 0 337.489 3.381 20 5 EGBDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435368843 458120706 /nfs/dbraw/zinc/12/07/06/458120706.db2.gz CESIZNXTLUBVFU-QWHCGFSZSA-N 2 0 331.441 3.492 20 5 EGBDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@@H]1[NH3+] ZINC000435373295 458124560 /nfs/dbraw/zinc/12/45/60/458124560.db2.gz DGJZOMYZBXCHMR-WBMJQRKESA-N 2 0 331.441 3.492 20 5 EGBDRP C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[NH+]1C ZINC000441330104 458921490 /nfs/dbraw/zinc/92/14/90/458921490.db2.gz LGGMIEYBCYJHAD-INIZCTEOSA-N 2 0 335.448 3.170 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506480 459329211 /nfs/dbraw/zinc/32/92/11/459329211.db2.gz CYZLZSCVYGVEFU-IBGZPJMESA-N 2 0 347.459 3.300 20 5 EGBDRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599070097 460150433 /nfs/dbraw/zinc/15/04/33/460150433.db2.gz KUODJMAQTKOPFQ-MAUKXSAKSA-N 2 0 331.460 3.237 20 5 EGBDRP Cc1c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000873100445 1297272564 /nfs/dbraw/zinc/27/25/64/1297272564.db2.gz UIBFXMIIQPAPOI-UHFFFAOYSA-N 2 0 340.427 3.304 20 5 EGBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000866393430 1330106140 /nfs/dbraw/zinc/10/61/40/1330106140.db2.gz OEBAPHCGUBDWBN-GDBMZVCRSA-N 2 0 349.450 3.377 20 5 EGBDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000122190939 152396285 /nfs/dbraw/zinc/39/62/85/152396285.db2.gz JBHRCDZZSTUGLY-UHFFFAOYSA-N 2 0 349.475 3.165 20 5 EGBDRP CC1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]CC1 ZINC000414897622 309108061 /nfs/dbraw/zinc/10/80/61/309108061.db2.gz FBHKLJXWSCMLRY-UHFFFAOYSA-N 2 0 329.400 3.334 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414999367 309113506 /nfs/dbraw/zinc/11/35/06/309113506.db2.gz RTUUNMSFDUFHRK-DZGCQCFKSA-N 2 0 329.400 3.462 20 5 EGBDRP Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1[N+](=O)[O-] ZINC000422923739 309376435 /nfs/dbraw/zinc/37/64/35/309376435.db2.gz WWAAXYUPHALIHW-QWHCGFSZSA-N 2 0 328.416 3.477 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423457634 309401035 /nfs/dbraw/zinc/40/10/35/309401035.db2.gz IVXWZPLDKVFVRF-UIEBLEIFSA-N 2 0 329.444 3.021 20 5 EGBDRP CSC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000554981594 315360701 /nfs/dbraw/zinc/36/07/01/315360701.db2.gz IDIIGHDYYDCVOR-PTNGSMBKSA-N 2 0 349.500 3.415 20 5 EGBDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347073659 457216951 /nfs/dbraw/zinc/21/69/51/457216951.db2.gz RUPLYEULISAQDP-KBPBESRZSA-N 2 0 329.400 3.414 20 5 EGBDRP C[C@H](CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447607376 458321550 /nfs/dbraw/zinc/32/15/50/458321550.db2.gz RTKSIVXQITXMDO-IXDOHACOSA-N 2 0 349.479 3.129 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423543992 458456384 /nfs/dbraw/zinc/45/63/84/458456384.db2.gz NSLIUWSHBLZFQH-CAOSSQGBSA-N 2 0 349.500 3.443 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCc1cncn1C ZINC000530354901 458753347 /nfs/dbraw/zinc/75/33/47/458753347.db2.gz CUCDLENJWLPWML-ZDUSSCGKSA-N 2 0 334.445 3.031 20 5 EGBDRP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595105065 459246592 /nfs/dbraw/zinc/24/65/92/459246592.db2.gz WMVVQTWAJRRNSH-AWEZNQCLSA-N 2 0 347.459 3.376 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000534328443 459314950 /nfs/dbraw/zinc/31/49/50/459314950.db2.gz IRZURNGJVHOWGA-LSDHHAIUSA-N 2 0 337.489 3.397 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000591582324 459407206 /nfs/dbraw/zinc/40/72/06/459407206.db2.gz IKBBSUKDGJNHHG-DLBZAZTESA-N 2 0 329.444 3.180 20 5 EGBDRP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000574400847 459814333 /nfs/dbraw/zinc/81/43/33/459814333.db2.gz ZCRKNBLWCQDJDB-FZWSFRSISA-N 2 0 337.423 3.282 20 5 EGBDRP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000609133463 459908229 /nfs/dbraw/zinc/90/82/29/459908229.db2.gz KMDXMXURBSPTFF-UHFFFAOYSA-N 2 0 335.448 3.156 20 5 EGBDRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687347 460067459 /nfs/dbraw/zinc/06/74/59/460067459.db2.gz KEFXNBAHUHMLPE-GFCCVEGCSA-N 2 0 345.365 3.435 20 5 EGBDRP C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611521988 460387818 /nfs/dbraw/zinc/38/78/18/460387818.db2.gz BXHBOSFOWJOQCQ-LBPRGKRZSA-N 2 0 325.840 3.111 20 5 EGBDRP CC1(C)C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000873261675 1297394525 /nfs/dbraw/zinc/39/45/25/1297394525.db2.gz QDMGLYTVLFYCRL-AHXJXLJNSA-N 2 0 329.444 3.437 20 5 EGBDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788673902 1305994007 /nfs/dbraw/zinc/99/40/07/1305994007.db2.gz YVVKTFPLDFVWMG-HUUCEWRRSA-N 2 0 334.464 3.196 20 5 EGBDRP C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982869 1319485726 /nfs/dbraw/zinc/48/57/26/1319485726.db2.gz IWKJJNQOPHNTCC-CXAGYDPISA-N 2 0 328.416 3.308 20 5 EGBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000819142951 1319647682 /nfs/dbraw/zinc/64/76/82/1319647682.db2.gz UHVAHCHXPNCBBB-TVPLGVNVSA-N 2 0 347.459 3.015 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329324 1384292969 /nfs/dbraw/zinc/29/29/69/1384292969.db2.gz OMYPATNMJDHEOF-MPGHIAIKSA-N 2 0 349.475 3.243 20 5 EGBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCCCCCC[NH3+])c1F ZINC001173182684 1384932182 /nfs/dbraw/zinc/93/21/82/1384932182.db2.gz JYPAJXFKAGXEKX-CYBMUJFWSA-N 2 0 341.427 3.172 20 5 EGBDRP CC[C@@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353654080 165848030 /nfs/dbraw/zinc/84/80/30/165848030.db2.gz ZVBJMDFRHBNOAS-MRXNPFEDSA-N 2 0 337.489 3.463 20 5 EGBDRP C[NH+]1CCC2(CCC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000366949364 168160346 /nfs/dbraw/zinc/16/03/46/168160346.db2.gz AQXGKLPHOPWZLK-QPJJXVBHSA-N 2 0 329.444 3.416 20 5 EGBDRP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279075022 275301777 /nfs/dbraw/zinc/30/17/77/275301777.db2.gz MBMRLJBLLSZWAX-UGSOOPFHSA-N 2 0 329.444 3.391 20 5 EGBDRP [NH3+]CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000359470459 303376245 /nfs/dbraw/zinc/37/62/45/303376245.db2.gz FENDNHZDOLTHBJ-WDZFZDKYSA-N 2 0 325.412 3.459 20 5 EGBDRP C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000294297731 308207996 /nfs/dbraw/zinc/20/79/96/308207996.db2.gz NBYCUINBDDTDRK-SQWLQELKSA-N 2 0 346.475 3.481 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414799101 309102270 /nfs/dbraw/zinc/10/22/70/309102270.db2.gz JLHPMKZYOTWXNF-BBRMVZONSA-N 2 0 329.400 3.462 20 5 EGBDRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414989864 309112974 /nfs/dbraw/zinc/11/29/74/309112974.db2.gz HPARJVJRVIFJIZ-ZFWWWQNUSA-N 2 0 329.400 3.462 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@H]3CC[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415027596 309115172 /nfs/dbraw/zinc/11/51/72/309115172.db2.gz BFTQRDRIZYKGLD-STQMWFEESA-N 2 0 345.399 3.080 20 5 EGBDRP CSC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000554981595 315360466 /nfs/dbraw/zinc/36/04/66/315360466.db2.gz IDIIGHDYYDCVOR-RVDMUPIBSA-N 2 0 349.500 3.415 20 5 EGBDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603608 456009572 /nfs/dbraw/zinc/00/95/72/456009572.db2.gz JJFXWXPFVPOYIG-JMSVASOKSA-N 2 0 325.840 3.109 20 5 EGBDRP C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736376 455609887 /nfs/dbraw/zinc/60/98/87/455609887.db2.gz IOKGLUOUZZYFFJ-CVEARBPZSA-N 2 0 347.459 3.216 20 5 EGBDRP COc1ccc(-c2ccc(C[NH+]3CCC(C[NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000435397589 458137246 /nfs/dbraw/zinc/13/72/46/458137246.db2.gz ICUZCBFNVXAIFT-UHFFFAOYSA-N 2 0 345.399 3.034 20 5 EGBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432369824 458726420 /nfs/dbraw/zinc/72/64/20/458726420.db2.gz XIAQUSKELMGPSC-WBILKINKSA-N 2 0 347.459 3.089 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433713 459599969 /nfs/dbraw/zinc/59/99/69/459599969.db2.gz PPLXAVZENZHAKO-PUZHUATGSA-N 2 0 329.444 3.320 20 5 EGBDRP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000618798350 460180743 /nfs/dbraw/zinc/18/07/43/460180743.db2.gz SDTJSEOHETYENT-LLVKDONJSA-N 2 0 345.365 3.434 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000873264172 1297396525 /nfs/dbraw/zinc/39/65/25/1297396525.db2.gz OQBVRJPNPQVCDG-NBMRYCAZSA-N 2 0 329.444 3.036 20 5 EGBDRP C[C@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525443 1305963753 /nfs/dbraw/zinc/96/37/53/1305963753.db2.gz DERKRTBMROGYCQ-HNNXBMFYSA-N 2 0 334.464 3.340 20 5 EGBDRP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992507 1384080811 /nfs/dbraw/zinc/08/08/11/1384080811.db2.gz KFMMRFUKGKBFQK-CJNGLKHVSA-N 2 0 337.851 3.035 20 5 EGBDRP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169022540 1384092630 /nfs/dbraw/zinc/09/26/30/1384092630.db2.gz CSWAZHYFUUMAPA-HKUYNNGSSA-N 2 0 331.460 3.028 20 5 EGBDRP C[NH+]1C(C)(C)CC(Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)CC1(C)C ZINC001170450629 1384322173 /nfs/dbraw/zinc/32/21/73/1384322173.db2.gz DEGVAKIQWNPUDS-UHFFFAOYSA-N 2 0 332.448 3.261 20 5 EGBDRP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192924401 153265920 /nfs/dbraw/zinc/26/59/20/153265920.db2.gz VRYKOXNVMSIIQQ-SFHVURJKSA-N 2 0 325.412 3.207 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]12 ZINC000346852149 156164911 /nfs/dbraw/zinc/16/49/11/156164911.db2.gz WKFMKWYTOXHFMW-IAOVAPTHSA-N 2 0 327.384 3.024 20 5 EGBDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000350222624 165019663 /nfs/dbraw/zinc/01/96/63/165019663.db2.gz QGRPXACABRYARO-UHFFFAOYSA-N 2 0 335.448 3.244 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000278431716 268011230 /nfs/dbraw/zinc/01/12/30/268011230.db2.gz JNWULDGXVYRBDJ-LJQANCHMSA-N 2 0 329.444 3.436 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414989619 309113089 /nfs/dbraw/zinc/11/30/89/309113089.db2.gz MYBZJDHEMIYXAO-WWMCIYDGSA-N 2 0 341.411 3.460 20 5 EGBDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918036 309376325 /nfs/dbraw/zinc/37/63/25/309376325.db2.gz HDZYJLQZSBMCFC-UZLBHIALSA-N 2 0 341.455 3.466 20 5 EGBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000449062056 310033908 /nfs/dbraw/zinc/03/39/08/310033908.db2.gz KTDUDZXUTBKEID-HNNXBMFYSA-N 2 0 327.428 3.377 20 5 EGBDRP CCC[NH+]1CCC([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000111241054 454858847 /nfs/dbraw/zinc/85/88/47/454858847.db2.gz MNQSFDQROHJWMH-UHFFFAOYSA-N 2 0 335.448 3.170 20 5 EGBDRP CC[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCC1 ZINC000151660673 455014196 /nfs/dbraw/zinc/01/41/96/455014196.db2.gz FEWOMJXJFKKKIL-QZTJIDSGSA-N 2 0 331.460 3.380 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423445346 458434536 /nfs/dbraw/zinc/43/45/36/458434536.db2.gz RUQBYVDGAPSVGX-OWCLPIDISA-N 2 0 349.500 3.443 20 5 EGBDRP CCc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000582481439 459372254 /nfs/dbraw/zinc/37/22/54/459372254.db2.gz DLRLVBVDJPQVBJ-IBGZPJMESA-N 2 0 343.427 3.429 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000591582327 459407827 /nfs/dbraw/zinc/40/78/27/459407827.db2.gz IKBBSUKDGJNHHG-SJORKVTESA-N 2 0 329.444 3.180 20 5 EGBDRP [NH3+][C@@]12CCC[C@H]1CN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717457 460005358 /nfs/dbraw/zinc/00/53/58/460005358.db2.gz FPNNDSOLBYFXSU-KBXCAEBGSA-N 2 0 327.384 3.168 20 5 EGBDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000903794538 1317735887 /nfs/dbraw/zinc/73/58/87/1317735887.db2.gz YXDNMPJIYKARTO-UHFFFAOYSA-N 2 0 331.441 3.149 20 5 EGBDRP CC[NH+]1CCC(CC2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169046363 1384100141 /nfs/dbraw/zinc/10/01/41/1384100141.db2.gz LFGMAHLWLBBDEI-OALUTQOASA-N 2 0 337.508 3.266 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]CCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170297524 1384285237 /nfs/dbraw/zinc/28/52/37/1384285237.db2.gz OOOJMPYASQARKS-OAHLLOKOSA-N 2 0 335.448 3.000 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170308133 1384288142 /nfs/dbraw/zinc/28/81/42/1384288142.db2.gz KUSMPXAIOCFMHM-OAHLLOKOSA-N 2 0 349.475 3.244 20 5 EGBDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900020 1384874365 /nfs/dbraw/zinc/87/43/65/1384874365.db2.gz RHFOSXHWUVOMFF-MAUKXSAKSA-N 2 0 331.460 3.164 20 5 EGBDRP CC[N@H+](C)C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912931 1384876540 /nfs/dbraw/zinc/87/65/40/1384876540.db2.gz MTTKEQBDNRKYMU-GOSISDBHSA-N 2 0 331.460 3.258 20 5 EGBDRP CC[N@H+](C)C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172912933 1384877193 /nfs/dbraw/zinc/87/71/93/1384877193.db2.gz MTTKEQBDNRKYMU-SFHVURJKSA-N 2 0 331.460 3.258 20 5 EGBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001173214243 1384937196 /nfs/dbraw/zinc/93/71/96/1384937196.db2.gz NSNLVALOTSSQAT-OAHLLOKOSA-N 2 0 327.428 3.377 20 5 EGBDRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298437439 132390915 /nfs/dbraw/zinc/39/09/15/132390915.db2.gz NFRKGRYASWVMDR-CQSZACIVSA-N 2 0 326.400 3.309 20 5 EGBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000346836761 156159072 /nfs/dbraw/zinc/15/90/72/156159072.db2.gz VOBVDRLQLHLROF-ZTFGCOKTSA-N 2 0 341.411 3.414 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000178409266 265314376 /nfs/dbraw/zinc/31/43/76/265314376.db2.gz DKSHTJJNQSAWMT-GOSISDBHSA-N 2 0 331.460 3.382 20 5 EGBDRP C[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000423221156 309391103 /nfs/dbraw/zinc/39/11/03/309391103.db2.gz WLFZSIRBCLKXEL-CWLKWCNXSA-N 2 0 331.460 3.284 20 5 EGBDRP CCc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423254208 309392488 /nfs/dbraw/zinc/39/24/88/309392488.db2.gz XPCBKCWTRUIOEJ-KUHUBIRLSA-N 2 0 343.427 3.429 20 5 EGBDRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc([N+](=O)[O-])ccc21 ZINC000583988706 325567974 /nfs/dbraw/zinc/56/79/74/325567974.db2.gz UUNSOXSMDBAHTF-LWGWVAHUSA-N 2 0 329.444 3.295 20 5 EGBDRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173329696 455266614 /nfs/dbraw/zinc/26/66/14/455266614.db2.gz DMBJDCPFVSCERN-HNNXBMFYSA-N 2 0 343.427 3.386 20 5 EGBDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000047973136 454426407 /nfs/dbraw/zinc/42/64/07/454426407.db2.gz AATJTVUFGRRIKH-UHFFFAOYSA-N 2 0 335.448 3.157 20 5 EGBDRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000162855117 454804746 /nfs/dbraw/zinc/80/47/46/454804746.db2.gz OYSIRHURNKFESV-ZACQAIPSSA-N 2 0 349.475 3.443 20 5 EGBDRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000268844447 455716042 /nfs/dbraw/zinc/71/60/42/455716042.db2.gz BJMHNYLQBLEGOM-RTBURBONSA-N 2 0 349.475 3.263 20 5 EGBDRP CCOc1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000276860841 456602352 /nfs/dbraw/zinc/60/23/52/456602352.db2.gz GGVNKSBYFSOHTB-QGZVFWFLSA-N 2 0 347.459 3.301 20 5 EGBDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435374016 458124049 /nfs/dbraw/zinc/12/40/49/458124049.db2.gz PAAOFCJLAFHTRR-OCCSQVGLSA-N 2 0 331.441 3.492 20 5 EGBDRP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CCC[NH2+]CC1 ZINC000435438991 458147647 /nfs/dbraw/zinc/14/76/47/458147647.db2.gz SHKWLTKQVYUVRO-HNNXBMFYSA-N 2 0 329.400 3.429 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000423552478 458456635 /nfs/dbraw/zinc/45/66/35/458456635.db2.gz VBPQGXNDBOKWAP-ARLBYUKCSA-N 2 0 333.432 3.032 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058803 459504775 /nfs/dbraw/zinc/50/47/75/459504775.db2.gz JLXBEVNPKOLIDR-RJIDQJRZSA-N 2 0 329.444 3.320 20 5 EGBDRP CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1[NH3+] ZINC000592427553 459598322 /nfs/dbraw/zinc/59/83/22/459598322.db2.gz BTHHOUODAFAISU-DYVFJYSZSA-N 2 0 329.400 3.414 20 5 EGBDRP [NH3+][C@]12CCC[C@@H]1CN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717458 460004422 /nfs/dbraw/zinc/00/44/22/460004422.db2.gz FPNNDSOLBYFXSU-KDOFPFPSSA-N 2 0 327.384 3.168 20 5 EGBDRP Cc1c(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000602845422 460155313 /nfs/dbraw/zinc/15/53/13/460155313.db2.gz KSXSMSUDGLYWMP-UHFFFAOYSA-N 2 0 326.400 3.011 20 5 EGBDRP C[NH+]1CCC(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000894082039 1306206983 /nfs/dbraw/zinc/20/69/83/1306206983.db2.gz OIKHJMKMXMIZHJ-UHFFFAOYSA-N 2 0 331.338 3.045 20 5 EGBDRP C[N@H+](Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CCC([NH3+])CC1 ZINC000843054746 1321462753 /nfs/dbraw/zinc/46/27/53/1321462753.db2.gz FJVWKTYBRHAMTL-UHFFFAOYSA-N 2 0 346.456 3.420 20 5 EGBDRP CC(C)C[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866227230 1330080811 /nfs/dbraw/zinc/08/08/11/1330080811.db2.gz XBYHNYVETQXKGH-AWEZNQCLSA-N 2 0 337.439 3.375 20 5 EGBDRP Cc1cc(-n2cc(CC[NH3+])c3c[nH+]ccc32)nc2ccc([N+](=O)[O-])cc12 ZINC001160945555 1382246872 /nfs/dbraw/zinc/24/68/72/1382246872.db2.gz FLEREIFQLPRPPI-UHFFFAOYSA-N 2 0 347.378 3.292 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001168961620 1384071917 /nfs/dbraw/zinc/07/19/17/1384071917.db2.gz JEWSWXIUMXEFRN-FSGKZVOOSA-N 2 0 343.471 3.217 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001168990416 1384080387 /nfs/dbraw/zinc/08/03/87/1384080387.db2.gz CNFXEDNDJHQHEW-OALUTQOASA-N 2 0 337.508 3.314 20 5 EGBDRP [NH3+]CCC1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901008 1384874104 /nfs/dbraw/zinc/87/41/04/1384874104.db2.gz FLOJFUDWWHEHEA-UYJHFMRCSA-N 2 0 331.460 3.339 20 5 EGBDRP CC(C)[NH+]1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172899732 1384874388 /nfs/dbraw/zinc/87/43/88/1384874388.db2.gz PAZIEGPJSPJIII-KRWDZBQOSA-N 2 0 331.460 3.305 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CC2 ZINC001172911612 1384875994 /nfs/dbraw/zinc/87/59/94/1384875994.db2.gz KOSDIKOIUWSOBE-KRWDZBQOSA-N 2 0 343.471 3.449 20 5 EGBDRP CC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414899164 309108243 /nfs/dbraw/zinc/10/82/43/309108243.db2.gz HAFKXSGVJFDCIK-RDJZCZTQSA-N 2 0 331.460 3.285 20 5 EGBDRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000423221154 309390975 /nfs/dbraw/zinc/39/09/75/309390975.db2.gz WLFZSIRBCLKXEL-BURFUSLBSA-N 2 0 331.460 3.284 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC[NH+](C)C ZINC000504900511 312012132 /nfs/dbraw/zinc/01/21/32/312012132.db2.gz ZBSWBLULFDKUBR-ZIAGYGMSSA-N 2 0 325.478 3.395 20 5 EGBDRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081516795 453880670 /nfs/dbraw/zinc/88/06/70/453880670.db2.gz WMARIJRCZPWVLM-INIZCTEOSA-N 2 0 335.448 3.027 20 5 EGBDRP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134932068 454611337 /nfs/dbraw/zinc/61/13/37/454611337.db2.gz ORESVFSAKUYRPP-APWZRJJASA-N 2 0 329.444 3.086 20 5 EGBDRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000162520039 454781233 /nfs/dbraw/zinc/78/12/33/454781233.db2.gz OAYXEAPDXLMXQG-OAHLLOKOSA-N 2 0 343.427 3.386 20 5 EGBDRP CC(C)[NH+]1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000180402598 455164411 /nfs/dbraw/zinc/16/44/11/455164411.db2.gz GPPQSYBMSCVYEM-GOSISDBHSA-N 2 0 331.460 3.378 20 5 EGBDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271873359 455794882 /nfs/dbraw/zinc/79/48/82/455794882.db2.gz NKBNYZCSAKTSNC-FUHWJXTLSA-N 2 0 329.444 3.158 20 5 EGBDRP CN(CCC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000353571953 456771737 /nfs/dbraw/zinc/77/17/37/456771737.db2.gz JGPRMBIFSJVHRZ-UHFFFAOYSA-N 2 0 331.416 3.184 20 5 EGBDRP CSC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000353634251 456818243 /nfs/dbraw/zinc/81/82/43/456818243.db2.gz ZLMZDIVNYICMBM-CQSZACIVSA-N 2 0 337.489 3.381 20 5 EGBDRP CSC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000353634250 456819595 /nfs/dbraw/zinc/81/95/95/456819595.db2.gz ZLMZDIVNYICMBM-AWEZNQCLSA-N 2 0 337.489 3.381 20 5 EGBDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347070016 457214865 /nfs/dbraw/zinc/21/48/65/457214865.db2.gz PCKKGRIZNQAYCR-UKRRQHHQSA-N 2 0 329.400 3.414 20 5 EGBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433296681 457802707 /nfs/dbraw/zinc/80/27/07/457802707.db2.gz SYSXTQDWIXSSEF-MAUKXSAKSA-N 2 0 349.475 3.264 20 5 EGBDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435373701 458124542 /nfs/dbraw/zinc/12/45/42/458124542.db2.gz OCQDKMOWLQFUAC-STQMWFEESA-N 2 0 331.441 3.492 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591281865 459347422 /nfs/dbraw/zinc/34/74/22/459347422.db2.gz PYAUHVKRYBDISL-ZVZYQTTQSA-N 2 0 329.444 3.038 20 5 EGBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094027 459518609 /nfs/dbraw/zinc/51/86/09/459518609.db2.gz HBPFAERNHZBHAQ-QAPCUYQASA-N 2 0 329.444 3.294 20 5 EGBDRP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492589 459613604 /nfs/dbraw/zinc/61/36/04/459613604.db2.gz BGIIZXHSFZDHPD-KBPBESRZSA-N 2 0 337.851 3.460 20 5 EGBDRP C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982872 1319485835 /nfs/dbraw/zinc/48/58/35/1319485835.db2.gz IWKJJNQOPHNTCC-SUMWQHHRSA-N 2 0 328.416 3.308 20 5 EGBDRP [NH3+]C1CCC([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000843103759 1321470372 /nfs/dbraw/zinc/47/03/72/1321470372.db2.gz CBKNLSPEIBPRFK-UHFFFAOYSA-N 2 0 332.429 3.078 20 5 EGBDRP COc1ccc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000865716694 1329732294 /nfs/dbraw/zinc/73/22/94/1329732294.db2.gz DGBXPAXKOCZVIE-UHFFFAOYSA-N 2 0 335.448 3.204 20 5 EGBDRP C[NH2+]CCC(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001219372098 1373704780 /nfs/dbraw/zinc/70/47/80/1373704780.db2.gz YEZOKWGPGJHKLY-UHFFFAOYSA-N 2 0 346.390 3.113 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999917 1384083656 /nfs/dbraw/zinc/08/36/56/1384083656.db2.gz WGYPZXBQZYTZDG-LEUOFYLZSA-N 2 0 349.450 3.343 20 5 EGBDRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030343 1384094401 /nfs/dbraw/zinc/09/44/01/1384094401.db2.gz YXZDQJHTPKXTLT-AZUAARDMSA-N 2 0 345.487 3.418 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001169037686 1384097526 /nfs/dbraw/zinc/09/75/26/1384097526.db2.gz SREDBFUIGPTNBB-HSALFYBXSA-N 2 0 343.471 3.030 20 5 EGBDRP COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H](CCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC001170326143 1384291141 /nfs/dbraw/zinc/29/11/41/1384291141.db2.gz FKCKVXYARBCGTP-HZPDHXFCSA-N 2 0 349.475 3.375 20 5 EGBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001173214242 1384937129 /nfs/dbraw/zinc/93/71/29/1384937129.db2.gz NSNLVALOTSSQAT-HNNXBMFYSA-N 2 0 327.428 3.377 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192926078 153268370 /nfs/dbraw/zinc/26/83/70/153268370.db2.gz ALWXCKXOTZJGPX-SFHVURJKSA-N 2 0 325.412 3.207 20 5 EGBDRP CCOc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000367201021 168192327 /nfs/dbraw/zinc/19/23/27/168192327.db2.gz QQBIACCAASCOFY-UHFFFAOYSA-N 2 0 347.459 3.301 20 5 EGBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000161013797 307897332 /nfs/dbraw/zinc/89/73/32/307897332.db2.gz GZPIOFKOJAAJIY-KURKYZTESA-N 2 0 331.460 3.378 20 5 EGBDRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000247169514 307990350 /nfs/dbraw/zinc/99/03/50/307990350.db2.gz YLUZKVIDHRSCHL-ZOBUZTSGSA-N 2 0 349.475 3.443 20 5 EGBDRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423084485 309385097 /nfs/dbraw/zinc/38/50/97/309385097.db2.gz IBJPAMQGCMOLPJ-HZMBPMFUSA-N 2 0 331.338 3.091 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423343833 309396272 /nfs/dbraw/zinc/39/62/72/309396272.db2.gz XHDQMJXPKAKGFO-CQSZACIVSA-N 2 0 337.489 3.445 20 5 EGBDRP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2cc([N+](=O)[O-])ccc21 ZINC000423422582 309399669 /nfs/dbraw/zinc/39/96/69/309399669.db2.gz BLRTWQCRLCWDHW-BMGDILEWSA-N 2 0 329.444 3.295 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541273 309405694 /nfs/dbraw/zinc/40/56/94/309405694.db2.gz RTISHVBCJXWWLB-SJLPKXTDSA-N 2 0 329.444 3.205 20 5 EGBDRP Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272829039 456082597 /nfs/dbraw/zinc/08/25/97/456082597.db2.gz KRWOQAQBMZWXIU-HIFRSBDPSA-N 2 0 326.400 3.124 20 5 EGBDRP Cc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302190991 456312827 /nfs/dbraw/zinc/31/28/27/456312827.db2.gz QXPQUGZABWOYOB-AWEZNQCLSA-N 2 0 328.416 3.229 20 5 EGBDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435386948 458132242 /nfs/dbraw/zinc/13/22/42/458132242.db2.gz ZGMLHZHZAUGVGA-CYBMUJFWSA-N 2 0 331.441 3.365 20 5 EGBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884275 458241627 /nfs/dbraw/zinc/24/16/27/458241627.db2.gz NPEIPDCCZWHDMV-PTNGSMBKSA-N 2 0 329.444 3.462 20 5 EGBDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506510 458301123 /nfs/dbraw/zinc/30/11/23/458301123.db2.gz CXYMHJRXORGIII-IKGGRYGDSA-N 2 0 349.479 3.129 20 5 EGBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423527045 458452758 /nfs/dbraw/zinc/45/27/58/458452758.db2.gz LYKDCHQMZMJMFI-YEVHIBAUSA-N 2 0 343.471 3.269 20 5 EGBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432369822 458726253 /nfs/dbraw/zinc/72/62/53/458726253.db2.gz XIAQUSKELMGPSC-NWNNTGRJSA-N 2 0 347.459 3.089 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058800 459504044 /nfs/dbraw/zinc/50/40/44/459504044.db2.gz JLXBEVNPKOLIDR-GALSZHCDSA-N 2 0 329.444 3.320 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433710 459599986 /nfs/dbraw/zinc/59/99/86/459599986.db2.gz PPLXAVZENZHAKO-AEEZDXSHSA-N 2 0 329.444 3.320 20 5 EGBDRP CC1CC[NH+](CCCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602514831 459978140 /nfs/dbraw/zinc/97/81/40/459978140.db2.gz QVNFULPGXICMSV-UHFFFAOYSA-N 2 0 346.431 3.338 20 5 EGBDRP C[N@H+](CCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000834909431 1293172988 /nfs/dbraw/zinc/17/29/88/1293172988.db2.gz NUHQTNCKLQIOLO-UHFFFAOYSA-N 2 0 346.475 3.028 20 5 EGBDRP O=[N+]([O-])c1ccc(C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CC2)cc1 ZINC000873202860 1297346936 /nfs/dbraw/zinc/34/69/36/1297346936.db2.gz GLEVNLYKWLFXIH-UHFFFAOYSA-N 2 0 343.452 3.467 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000817947226 1319473101 /nfs/dbraw/zinc/47/31/01/1319473101.db2.gz AMJREOAANMCHIY-CQSZACIVSA-N 2 0 343.427 3.346 20 5 EGBDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cc1 ZINC000859214179 1328947622 /nfs/dbraw/zinc/94/76/22/1328947622.db2.gz NOEVYUZSKKTFGJ-UHFFFAOYSA-N 2 0 343.427 3.167 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000925658541 1325251404 /nfs/dbraw/zinc/25/14/04/1325251404.db2.gz IVGNPKOMDVWLEW-JHJIOBLFSA-N 2 0 343.349 3.219 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001168961627 1384072094 /nfs/dbraw/zinc/07/20/94/1384072094.db2.gz JEWSWXIUMXEFRN-YHDCXSKOSA-N 2 0 343.471 3.217 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999914 1384083813 /nfs/dbraw/zinc/08/38/13/1384083813.db2.gz WGYPZXBQZYTZDG-DDBAPUKQSA-N 2 0 349.450 3.343 20 5 EGBDRP CCCC[N@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297716 1384285046 /nfs/dbraw/zinc/28/50/46/1384285046.db2.gz QVSVUCYTDCVUBK-HNNXBMFYSA-N 2 0 337.464 3.246 20 5 EGBDRP [NH3+]C1(CC2CC2)CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904635 1384875420 /nfs/dbraw/zinc/87/54/20/1384875420.db2.gz OZXZEKCSWYZJRF-SFHVURJKSA-N 2 0 343.471 3.436 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001172909996 1384876137 /nfs/dbraw/zinc/87/61/37/1384876137.db2.gz WHPGNARGRZWQST-GOSISDBHSA-N 2 0 343.471 3.402 20 5 EGBDRP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cccc([N+](=O)[O-])c1C ZINC001322848398 1387245604 /nfs/dbraw/zinc/24/56/04/1387245604.db2.gz XSZUWVGIWFINFN-UHFFFAOYSA-N 2 0 337.339 3.045 20 5 EGBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000340476524 285169778 /nfs/dbraw/zinc/16/97/78/285169778.db2.gz RGCCJLRQDGNEEC-SJORKVTESA-N 2 0 349.479 3.131 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cnc2n1CCCC2)C1CC1 ZINC000367438315 168225607 /nfs/dbraw/zinc/22/56/07/168225607.db2.gz MEOFCSTZFAPOOS-QGZVFWFLSA-N 2 0 340.427 3.239 20 5 EGBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278526131 268032331 /nfs/dbraw/zinc/03/23/31/268032331.db2.gz SXORFGHFDOLCIY-HNNXBMFYSA-N 2 0 331.460 3.380 20 5 EGBDRP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279075019 275301757 /nfs/dbraw/zinc/30/17/57/275301757.db2.gz MBMRLJBLLSZWAX-SCLBCKFNSA-N 2 0 329.444 3.391 20 5 EGBDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414172160 309064677 /nfs/dbraw/zinc/06/46/77/309064677.db2.gz FBMYVLHMTSTYBA-MAUKXSAKSA-N 2 0 331.460 3.237 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000414670815 309094634 /nfs/dbraw/zinc/09/46/34/309094634.db2.gz NAVKNEBUQHJFKF-UHOFOFEASA-N 2 0 343.452 3.492 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414799104 309102317 /nfs/dbraw/zinc/10/23/17/309102317.db2.gz JLHPMKZYOTWXNF-XJKSGUPXSA-N 2 0 329.400 3.462 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843529 309104985 /nfs/dbraw/zinc/10/49/85/309104985.db2.gz QCWHAXGXLKDZNC-SOLBZPMBSA-N 2 0 331.460 3.285 20 5 EGBDRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414898354 309107994 /nfs/dbraw/zinc/10/79/94/309107994.db2.gz SVGIZCZAXXVOSL-LBPRGKRZSA-N 2 0 333.363 3.353 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414983323 309112717 /nfs/dbraw/zinc/11/27/17/309112717.db2.gz BSVZXKANSMNMOX-WWMCIYDGSA-N 2 0 341.411 3.460 20 5 EGBDRP COc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1[N+](=O)[O-] ZINC000415059678 309117451 /nfs/dbraw/zinc/11/74/51/309117451.db2.gz VJNYCCVFXYBLNO-MRXNPFEDSA-N 2 0 329.400 3.173 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322015 309281981 /nfs/dbraw/zinc/28/19/81/309281981.db2.gz DQPXWMJWFUEHGR-HOTGVXAUSA-N 2 0 347.459 3.204 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCC[NH+](C)C ZINC000271024249 456100971 /nfs/dbraw/zinc/10/09/71/456100971.db2.gz AZSJXOPYDHBCQG-AWEZNQCLSA-N 2 0 325.478 3.397 20 5 EGBDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173359841 455272997 /nfs/dbraw/zinc/27/29/97/455272997.db2.gz SUAGQLDGADRDOI-JYJNAYRXSA-N 2 0 335.448 3.135 20 5 EGBDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000151098767 454936766 /nfs/dbraw/zinc/93/67/66/454936766.db2.gz ZPWMWVNURYKUQA-QAPCUYQASA-N 2 0 331.460 3.237 20 5 EGBDRP CC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000584564739 459768206 /nfs/dbraw/zinc/76/82/06/459768206.db2.gz PQVRCRAXTWJCOV-SFHVURJKSA-N 2 0 331.460 3.237 20 5 EGBDRP C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000611521987 460387332 /nfs/dbraw/zinc/38/73/32/460387332.db2.gz BXHBOSFOWJOQCQ-GFCCVEGCSA-N 2 0 325.840 3.111 20 5 EGBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C1=CC[N@H+](C)CC1 ZINC001208909969 1371940652 /nfs/dbraw/zinc/94/06/52/1371940652.db2.gz LAUDJBJPCZHMJU-UHFFFAOYSA-N 2 0 348.450 3.431 20 5 EGBDRP CC1(C)C[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C[C@@](C)(C[NH3+])C1 ZINC001169141945 1384112651 /nfs/dbraw/zinc/11/26/51/1384112651.db2.gz DYARZFUQCODACK-KBXCAEBGSA-N 2 0 332.448 3.154 20 5 EGBDRP CC[N+](C)(C)Cc1ccccc1N1CCCc2ccc(C[NH3+])nc21 ZINC001169592275 1384163273 /nfs/dbraw/zinc/16/32/73/1384163273.db2.gz JZPLKELQPNELGK-UHFFFAOYSA-N 2 0 325.480 3.221 20 5 EGBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001170900980 1384407943 /nfs/dbraw/zinc/40/79/43/1384407943.db2.gz SKTCHJYJFUIYQJ-MRXNPFEDSA-N 2 0 332.429 3.182 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@@H]12 ZINC000414670813 309094775 /nfs/dbraw/zinc/09/47/75/309094775.db2.gz NAVKNEBUQHJFKF-APHBMKBZSA-N 2 0 343.452 3.492 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)o2)c1 ZINC000415014740 309114373 /nfs/dbraw/zinc/11/43/73/309114373.db2.gz XHIJNBQCYFRJDC-ZWKOTPCHSA-N 2 0 341.411 3.333 20 5 EGBDRP C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000415127357 309122402 /nfs/dbraw/zinc/12/24/02/309122402.db2.gz MULBDEBFZMPWEQ-UONOGXRCSA-N 2 0 329.400 3.272 20 5 EGBDRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918033 309376241 /nfs/dbraw/zinc/37/62/41/309376241.db2.gz HDZYJLQZSBMCFC-JXFKEZNVSA-N 2 0 341.455 3.466 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423264414 309392991 /nfs/dbraw/zinc/39/29/91/309392991.db2.gz YRVKHKGCPCQYFX-LSDHHAIUSA-N 2 0 337.489 3.445 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423275633 309393585 /nfs/dbraw/zinc/39/35/85/309393585.db2.gz MARUHEHAPUTAHW-DKIMLUQUSA-N 2 0 331.460 3.413 20 5 EGBDRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000075007673 454673698 /nfs/dbraw/zinc/67/36/98/454673698.db2.gz RSDRQSVHJHVATP-MRXNPFEDSA-N 2 0 349.475 3.479 20 5 EGBDRP C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC000165272102 454896596 /nfs/dbraw/zinc/89/65/96/454896596.db2.gz WRUHSBDFZNXZDS-CRAIPNDOSA-N 2 0 331.460 3.237 20 5 EGBDRP CCC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155664848 455028770 /nfs/dbraw/zinc/02/87/70/455028770.db2.gz QNUXLMBBRGYVHH-QFBILLFUSA-N 2 0 348.491 3.052 20 5 EGBDRP CCC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186583219 455799542 /nfs/dbraw/zinc/79/95/42/455799542.db2.gz PZQPQPHOOPONRN-APWZRJJASA-N 2 0 348.491 3.052 20 5 EGBDRP CC[NH+](CC)CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000343582725 456723055 /nfs/dbraw/zinc/72/30/55/456723055.db2.gz RPQIPKHEQUJSOE-UHFFFAOYSA-N 2 0 335.448 3.157 20 5 EGBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354209184 457131283 /nfs/dbraw/zinc/13/12/83/457131283.db2.gz QKMLURYKTZASKX-NVXWUHKLSA-N 2 0 335.448 3.168 20 5 EGBDRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369948 458122694 /nfs/dbraw/zinc/12/26/94/458122694.db2.gz GVPLOVIVPVINJF-OLZOCXBDSA-N 2 0 331.441 3.492 20 5 EGBDRP Cc1cc(N(C)CCC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000358669817 458141022 /nfs/dbraw/zinc/14/10/22/458141022.db2.gz APKSLLOLWKFHJC-UHFFFAOYSA-N 2 0 328.416 3.374 20 5 EGBDRP C[C@@H]1CCCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613963 459207847 /nfs/dbraw/zinc/20/78/47/459207847.db2.gz NMLFJYXBWOBZDM-CRAIPNDOSA-N 2 0 331.460 3.237 20 5 EGBDRP CC[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000592427534 459598529 /nfs/dbraw/zinc/59/85/29/459598529.db2.gz AMIIYOQNZAZLEF-CJNGLKHVSA-N 2 0 329.400 3.414 20 5 EGBDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000589197657 460051167 /nfs/dbraw/zinc/05/11/67/460051167.db2.gz KGSFGWJCZUMYQA-CQSZACIVSA-N 2 0 337.851 3.412 20 5 EGBDRP C[N@@H+]1CCCC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599070099 460150070 /nfs/dbraw/zinc/15/00/70/460150070.db2.gz KUODJMAQTKOPFQ-YJBOKZPZSA-N 2 0 331.460 3.237 20 5 EGBDRP Cc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1[N+](=O)[O-] ZINC000878749219 1300172851 /nfs/dbraw/zinc/17/28/51/1300172851.db2.gz ZACRGBSZDBVXLQ-UHFFFAOYSA-N 2 0 326.400 3.011 20 5 EGBDRP C[NH+]1CCC2(CCC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000798956505 1310462880 /nfs/dbraw/zinc/46/28/80/1310462880.db2.gz AQXGKLPHOPWZLK-DAXSKMNVSA-N 2 0 329.444 3.416 20 5 EGBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000843127254 1321473987 /nfs/dbraw/zinc/47/39/87/1321473987.db2.gz PCPIFSKDNDETND-CABCVRRESA-N 2 0 337.851 3.460 20 5 EGBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262008 1330087033 /nfs/dbraw/zinc/08/70/33/1330087033.db2.gz ZBVHAYIFKNUXIZ-HUUCEWRRSA-N 2 0 337.439 3.375 20 5 EGBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001173215314 1384937751 /nfs/dbraw/zinc/93/77/51/1384937751.db2.gz UTEFHMVKJMFHNW-ZACQAIPSSA-N 2 0 333.476 3.483 20 5 EGBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001173221851 1384938603 /nfs/dbraw/zinc/93/86/03/1384938603.db2.gz QMJCGEGSDFINIU-HNNXBMFYSA-N 2 0 331.460 3.380 20 5 EGBDRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001319383660 1386094375 /nfs/dbraw/zinc/09/43/75/1386094375.db2.gz OTYVDCXDECWAGV-YJBOKZPZSA-N 2 0 331.460 3.237 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349127709 156360891 /nfs/dbraw/zinc/36/08/91/156360891.db2.gz JCDQWLGCBSFXNX-INIZCTEOSA-N 2 0 347.459 3.157 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000278518191 268030132 /nfs/dbraw/zinc/03/01/32/268030132.db2.gz SDEAZDDJBCUEKS-IBGZPJMESA-N 2 0 343.471 3.380 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414655978 309093812 /nfs/dbraw/zinc/09/38/12/309093812.db2.gz DYEXMJBACXTTFK-OLZOCXBDSA-N 2 0 345.399 3.033 20 5 EGBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414827296 309104142 /nfs/dbraw/zinc/10/41/42/309104142.db2.gz KIERFWJLTLLQGF-CYBMUJFWSA-N 2 0 331.441 3.413 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C[NH3+] ZINC000415131422 309122669 /nfs/dbraw/zinc/12/26/69/309122669.db2.gz SFIYNDXOKAUVPS-UKRRQHHQSA-N 2 0 329.400 3.272 20 5 EGBDRP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422916273 309376096 /nfs/dbraw/zinc/37/60/96/309376096.db2.gz DEPFLFCCRCYRQE-GUDVDZBRSA-N 2 0 331.460 3.428 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000423395955 309398624 /nfs/dbraw/zinc/39/86/24/309398624.db2.gz SBAFGFPOFFVXHY-ZDUSSCGKSA-N 2 0 341.411 3.448 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541275 309405632 /nfs/dbraw/zinc/40/56/32/309405632.db2.gz RTISHVBCJXWWLB-WMZOPIPTSA-N 2 0 329.444 3.205 20 5 EGBDRP O=[N+]([O-])c1cccc(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)c1 ZINC000272900282 456106437 /nfs/dbraw/zinc/10/64/37/456106437.db2.gz PRSIAFVXCYWFLC-UHFFFAOYSA-N 2 0 345.365 3.144 20 5 EGBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000340476522 456483522 /nfs/dbraw/zinc/48/35/22/456483522.db2.gz RGCCJLRQDGNEEC-IAGOWNOFSA-N 2 0 349.479 3.131 20 5 EGBDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347070023 457214839 /nfs/dbraw/zinc/21/48/39/457214839.db2.gz PCKKGRIZNQAYCR-ZFWWWQNUSA-N 2 0 329.400 3.414 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534530 458454135 /nfs/dbraw/zinc/45/41/35/458454135.db2.gz ABDSOYALLBBIIB-OAHLLOKOSA-N 2 0 335.473 3.365 20 5 EGBDRP O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000827948127 1292410090 /nfs/dbraw/zinc/41/00/90/1292410090.db2.gz GJQODHTXEBUCNO-HNNXBMFYSA-N 2 0 337.851 3.460 20 5 EGBDRP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788509333 1305959004 /nfs/dbraw/zinc/95/90/04/1305959004.db2.gz XBPATACYNHTYDG-HNNXBMFYSA-N 2 0 342.443 3.350 20 5 EGBDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000859214891 1328948430 /nfs/dbraw/zinc/94/84/30/1328948430.db2.gz QKRHEUPYEDUTQQ-UHFFFAOYSA-N 2 0 327.428 3.331 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126568 1321474058 /nfs/dbraw/zinc/47/40/58/1321474058.db2.gz KMXYZKSPUIXBKL-KGLIPLIRSA-N 2 0 337.851 3.460 20 5 EGBDRP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169022542 1384092547 /nfs/dbraw/zinc/09/25/47/1384092547.db2.gz CSWAZHYFUUMAPA-IEBWSBKVSA-N 2 0 331.460 3.028 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170313553 1384288832 /nfs/dbraw/zinc/28/88/32/1384288832.db2.gz ONHZASUMCVOVGL-HNNXBMFYSA-N 2 0 349.475 3.244 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCCC[NH+]1CCCC1)CC2 ZINC001172897611 1384873762 /nfs/dbraw/zinc/87/37/62/1384873762.db2.gz BFEBUBMHHPZYSM-GOSISDBHSA-N 2 0 331.460 3.308 20 5 EGBDRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C2)CC1 ZINC001172921768 1384879896 /nfs/dbraw/zinc/87/98/96/1384879896.db2.gz SLNQPXKWBIAFDA-GOSISDBHSA-N 2 0 343.471 3.260 20 5 EGBDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122114428 152390690 /nfs/dbraw/zinc/39/06/90/152390690.db2.gz VZMVQBXKFCNJGY-UHFFFAOYSA-N 2 0 349.475 3.165 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000192926062 153269255 /nfs/dbraw/zinc/26/92/55/153269255.db2.gz ALWXCKXOTZJGPX-GOSISDBHSA-N 2 0 325.412 3.207 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@@H]12 ZINC000414669463 309094659 /nfs/dbraw/zinc/09/46/59/309094659.db2.gz KOASZKSHRQENJV-IAOVAPTHSA-N 2 0 343.452 3.492 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C[NH3+] ZINC000415131420 309122702 /nfs/dbraw/zinc/12/27/02/309122702.db2.gz SFIYNDXOKAUVPS-HIFRSBDPSA-N 2 0 329.400 3.272 20 5 EGBDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091189 309385380 /nfs/dbraw/zinc/38/53/80/309385380.db2.gz WXIVTFSBTMPREG-BXUZGUMPSA-N 2 0 331.338 3.221 20 5 EGBDRP [NH3+]Cc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000580834749 325300467 /nfs/dbraw/zinc/30/04/67/325300467.db2.gz WLBOZFPHOIKUMZ-GOSISDBHSA-N 2 0 325.412 3.164 20 5 EGBDRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc([N+](=O)[O-])ccc21 ZINC000583988707 325567872 /nfs/dbraw/zinc/56/78/72/325567872.db2.gz UUNSOXSMDBAHTF-MMQJMDILSA-N 2 0 329.444 3.295 20 5 EGBDRP CC(C)[NH+]1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000180402581 455164189 /nfs/dbraw/zinc/16/41/89/455164189.db2.gz GPPQSYBMSCVYEM-SFHVURJKSA-N 2 0 331.460 3.378 20 5 EGBDRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247250429 455579239 /nfs/dbraw/zinc/57/92/39/455579239.db2.gz ZPWMWVNURYKUQA-CRAIPNDOSA-N 2 0 331.460 3.237 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@]4(CC[NH2+]C4)C3)o2)c1 ZINC000262063064 455992017 /nfs/dbraw/zinc/99/20/17/455992017.db2.gz RHGCZAPLUNRDAU-SFHVURJKSA-N 2 0 327.384 3.040 20 5 EGBDRP Cc1cc(N2CCN(c3ccccn3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272788434 456070128 /nfs/dbraw/zinc/07/01/28/456070128.db2.gz BTKVNCWLGUXLPJ-UHFFFAOYSA-N 2 0 349.394 3.173 20 5 EGBDRP Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301802068 456217937 /nfs/dbraw/zinc/21/79/37/456217937.db2.gz ADAACCDBEGYYSY-CYBMUJFWSA-N 2 0 341.415 3.255 20 5 EGBDRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601131939 460724253 /nfs/dbraw/zinc/72/42/53/460724253.db2.gz RVXXHXFZODSMIA-SUMWQHHRSA-N 2 0 326.400 3.064 20 5 EGBDRP CC[C@H]([NH2+]CC1(SC)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000353654079 456833090 /nfs/dbraw/zinc/83/30/90/456833090.db2.gz ZVBJMDFRHBNOAS-INIZCTEOSA-N 2 0 337.489 3.463 20 5 EGBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000354088022 457054605 /nfs/dbraw/zinc/05/46/05/457054605.db2.gz JOORFOWWPPZQPC-KOEDOTQGSA-N 2 0 347.459 3.041 20 5 EGBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000442928091 459061242 /nfs/dbraw/zinc/06/12/42/459061242.db2.gz PIHYLUJAMSITBP-CQSZACIVSA-N 2 0 329.400 3.416 20 5 EGBDRP CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@@H]1[NH3+] ZINC000592427533 459598179 /nfs/dbraw/zinc/59/81/79/459598179.db2.gz AMIIYOQNZAZLEF-BBRMVZONSA-N 2 0 329.400 3.414 20 5 EGBDRP CC[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1[NH3+] ZINC000592427536 459598926 /nfs/dbraw/zinc/59/89/26/459598926.db2.gz AMIIYOQNZAZLEF-XJKSGUPXSA-N 2 0 329.400 3.414 20 5 EGBDRP C[N@H+](Cc1cccc([N+](=O)[O-])c1Br)C1CCC([NH3+])CC1 ZINC000234322015 1296180766 /nfs/dbraw/zinc/18/07/66/1296180766.db2.gz GZPKICLGTAWHTG-UHFFFAOYSA-N 2 0 342.237 3.059 20 5 EGBDRP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000873220119 1297361893 /nfs/dbraw/zinc/36/18/93/1297361893.db2.gz JWAFOMSNVNROQE-QGPMSJSTSA-N 2 0 331.460 3.284 20 5 EGBDRP C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817982871 1319485585 /nfs/dbraw/zinc/48/55/85/1319485585.db2.gz IWKJJNQOPHNTCC-GUYCJALGSA-N 2 0 328.416 3.308 20 5 EGBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000866249840 1330085522 /nfs/dbraw/zinc/08/55/22/1330085522.db2.gz OSEQZDOYDIFWME-ZDUSSCGKSA-N 2 0 335.423 3.271 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001495 1384083778 /nfs/dbraw/zinc/08/37/78/1384083778.db2.gz GMBHNRGNBDADFH-BTHPGYMESA-N 2 0 345.487 3.180 20 5 EGBDRP Cc1c(C[NH2+]C2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-] ZINC000326244170 154182461 /nfs/dbraw/zinc/18/24/61/154182461.db2.gz YNYKNZPUSCPDBS-UHFFFAOYSA-N 2 0 326.400 3.057 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]Cc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000367439879 168225888 /nfs/dbraw/zinc/22/58/88/168225888.db2.gz XZLLYFVXKHEBOF-ZDUSSCGKSA-N 2 0 344.415 3.377 20 5 EGBDRP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000414918555 309109326 /nfs/dbraw/zinc/10/93/26/309109326.db2.gz UUJYDNLVEJLSLB-SUMDDJOVSA-N 2 0 331.460 3.285 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1C[NH3+] ZINC000415127355 309122292 /nfs/dbraw/zinc/12/22/92/309122292.db2.gz MULBDEBFZMPWEQ-KGLIPLIRSA-N 2 0 329.400 3.272 20 5 EGBDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918034 309376283 /nfs/dbraw/zinc/37/62/83/309376283.db2.gz HDZYJLQZSBMCFC-OXJNMPFZSA-N 2 0 341.455 3.466 20 5 EGBDRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000435375175 309730150 /nfs/dbraw/zinc/73/01/50/309730150.db2.gz SSYMHIOXHXCXOC-UHFFFAOYSA-N 2 0 331.441 3.494 20 5 EGBDRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490030518 311130442 /nfs/dbraw/zinc/13/04/42/311130442.db2.gz LVRNYVNYTPLMKS-WMZOPIPTSA-N 2 0 349.475 3.397 20 5 EGBDRP CN(C)Cc1cnc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)s1 ZINC000352780552 456300330 /nfs/dbraw/zinc/30/03/30/456300330.db2.gz XZIBTJHIKNFWDP-UHFFFAOYSA-N 2 0 348.472 3.225 20 5 EGBDRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000354088021 457053930 /nfs/dbraw/zinc/05/39/30/457053930.db2.gz JOORFOWWPPZQPC-CNRGFGOASA-N 2 0 347.459 3.041 20 5 EGBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000354088023 457054690 /nfs/dbraw/zinc/05/46/90/457054690.db2.gz JOORFOWWPPZQPC-PDFOZTTASA-N 2 0 347.459 3.041 20 5 EGBDRP O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc2)c1 ZINC000591581244 459406382 /nfs/dbraw/zinc/40/63/82/459406382.db2.gz OWZIZVVHGPAMLT-RBUKOAKNSA-N 2 0 337.423 3.416 20 5 EGBDRP [NH3+]CCC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000563232397 459744327 /nfs/dbraw/zinc/74/43/27/459744327.db2.gz XIOBEFXXASHFKQ-UHFFFAOYSA-N 2 0 329.400 3.416 20 5 EGBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000261944097 1296609233 /nfs/dbraw/zinc/60/92/33/1296609233.db2.gz FAKKCIUJCIHZAH-UHFFFAOYSA-N 2 0 341.411 3.430 20 5 EGBDRP C[C@@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000873220121 1297361311 /nfs/dbraw/zinc/36/13/11/1297361311.db2.gz JWAFOMSNVNROQE-UWWQBHOKSA-N 2 0 331.460 3.284 20 5 EGBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559755 1319016715 /nfs/dbraw/zinc/01/67/15/1319016715.db2.gz PFVOASKBXZMGHK-LSDHHAIUSA-N 2 0 334.464 3.482 20 5 EGBDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000859214656 1328947603 /nfs/dbraw/zinc/94/76/03/1328947603.db2.gz QMTWYOJNPXNQTG-UHFFFAOYSA-N 2 0 343.427 3.167 20 5 EGBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(N(C)C)ccn1 ZINC000922482838 1322539320 /nfs/dbraw/zinc/53/93/20/1322539320.db2.gz NHPAIIMTPFMVKH-ZROIWOOFSA-N 2 0 326.400 3.249 20 5 EGBDRP [NH3+]Cc1cc2cc(Cl)ccc2n1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001163898199 1383133828 /nfs/dbraw/zinc/13/38/28/1383133828.db2.gz NWGDSDWHEJQZAF-UHFFFAOYSA-N 2 0 342.786 3.254 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001168996063 1384082243 /nfs/dbraw/zinc/08/22/43/1384082243.db2.gz URHYPPKLWAANQA-FUHWJXTLSA-N 2 0 349.450 3.073 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]C2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170317313 1384289441 /nfs/dbraw/zinc/28/94/41/1384289441.db2.gz FLQHMJWEXCWFSA-VQCLRJIVSA-N 2 0 335.448 3.032 20 5 EGBDRP C[NH+](C)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904726 1384875502 /nfs/dbraw/zinc/87/55/02/1384875502.db2.gz FUZRYLYTXQSKOR-KURKYZTESA-N 2 0 331.460 3.305 20 5 EGBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173215311 1384937662 /nfs/dbraw/zinc/93/76/62/1384937662.db2.gz UTEFHMVKJMFHNW-BBWFWOEESA-N 2 0 333.476 3.483 20 5 EGBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001173221913 1384938139 /nfs/dbraw/zinc/93/81/39/1384938139.db2.gz QXNGMTDLGPVQNB-OAHLLOKOSA-N 2 0 340.427 3.179 20 5 EGBDRP C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354894980 166058409 /nfs/dbraw/zinc/05/84/09/166058409.db2.gz JMHJOCHNJJVLNI-UHFFFAOYSA-N 2 0 346.456 3.400 20 5 EGBDRP C[NH+](C)CCCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000123132816 222221072 /nfs/dbraw/zinc/22/10/72/222221072.db2.gz AXXNLHYLDMLKBV-UHFFFAOYSA-N 2 0 335.448 3.027 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195399 309066232 /nfs/dbraw/zinc/06/62/32/309066232.db2.gz UUSOJPOZHOJYRC-CABCVRRESA-N 2 0 335.448 3.376 20 5 EGBDRP Cc1cc(NC2CCC([NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420631661 309290945 /nfs/dbraw/zinc/29/09/45/309290945.db2.gz VNGWAUDZCCBCJY-UHFFFAOYSA-N 2 0 328.416 3.158 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423349475 309396627 /nfs/dbraw/zinc/39/66/27/309396627.db2.gz VRQMOGMOHKNZLR-WMLDXEAASA-N 2 0 337.489 3.445 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000152777936 454724539 /nfs/dbraw/zinc/72/45/39/454724539.db2.gz FOPXPDCZAVAHLF-CQSZACIVSA-N 2 0 328.416 3.329 20 5 EGBDRP C[NH2+]CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000261971541 455979564 /nfs/dbraw/zinc/97/95/64/455979564.db2.gz DKPSZQAPTVZLFX-UHFFFAOYSA-N 2 0 335.448 3.204 20 5 EGBDRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000578643111 459235621 /nfs/dbraw/zinc/23/56/21/459235621.db2.gz NOVNTGLJEJMDBG-DAYGRLMNSA-N 2 0 347.459 3.061 20 5 EGBDRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000578643114 459236430 /nfs/dbraw/zinc/23/64/30/459236430.db2.gz NOVNTGLJEJMDBG-RVKKMQEKSA-N 2 0 347.459 3.061 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433711 459599428 /nfs/dbraw/zinc/59/94/28/459599428.db2.gz PPLXAVZENZHAKO-LQIFBCGMSA-N 2 0 329.444 3.320 20 5 EGBDRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc([N+](=O)[O-])ccc21 ZINC000583988708 459630307 /nfs/dbraw/zinc/63/03/07/459630307.db2.gz UUNSOXSMDBAHTF-NPSOMJIGSA-N 2 0 329.444 3.295 20 5 EGBDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602514611 459978506 /nfs/dbraw/zinc/97/85/06/459978506.db2.gz OJAFPWWWBUFSAK-AWEZNQCLSA-N 2 0 346.431 3.338 20 5 EGBDRP CC[NH2+]CC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000261684299 1296597945 /nfs/dbraw/zinc/59/79/45/1296597945.db2.gz NAZRYJAKTGURAS-UHFFFAOYSA-N 2 0 328.416 3.277 20 5 EGBDRP O=[N+]([O-])c1cccc(C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C2CC2)c1 ZINC000873202821 1297348207 /nfs/dbraw/zinc/34/82/07/1297348207.db2.gz FJOASDGNCWXTOH-UHFFFAOYSA-N 2 0 343.452 3.467 20 5 EGBDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788673900 1305994325 /nfs/dbraw/zinc/99/43/25/1305994325.db2.gz YVVKTFPLDFVWMG-GJZGRUSLSA-N 2 0 334.464 3.196 20 5 EGBDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000809756020 1317891184 /nfs/dbraw/zinc/89/11/84/1317891184.db2.gz ODEHVIWRDIYWCW-CQSZACIVSA-N 2 0 337.851 3.412 20 5 EGBDRP C[NH+]1CCC2(CCCN(c3ccnc4ccc([N+](=O)[O-])cc43)C2)CC1 ZINC000865754513 1329735137 /nfs/dbraw/zinc/73/51/37/1329735137.db2.gz VQRRVJNZWYRSOS-UHFFFAOYSA-N 2 0 340.427 3.455 20 5 EGBDRP CC[N+](C)(C)Cc1ccccc1NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001163061403 1382959067 /nfs/dbraw/zinc/95/90/67/1382959067.db2.gz URZMYURJKGMGMZ-GOSISDBHSA-N 2 0 341.523 3.306 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001168982913 1384078649 /nfs/dbraw/zinc/07/86/49/1384078649.db2.gz JEWSWXIUMXEFRN-VYJAJWGXSA-N 2 0 343.471 3.217 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]12 ZINC000346845147 156161216 /nfs/dbraw/zinc/16/12/16/156161216.db2.gz ZLQZBEVICKRMNS-DAXOMENPSA-N 2 0 327.384 3.024 20 5 EGBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000349155595 156370274 /nfs/dbraw/zinc/37/02/74/156370274.db2.gz WBVXVLYRAKDHSO-DKGMDFAASA-N 2 0 326.400 3.221 20 5 EGBDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414172164 309064570 /nfs/dbraw/zinc/06/45/70/309064570.db2.gz FBMYVLHMTSTYBA-YJBOKZPZSA-N 2 0 331.460 3.237 20 5 EGBDRP C[C@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1C[NH3+] ZINC000415126977 309122410 /nfs/dbraw/zinc/12/24/10/309122410.db2.gz MREUZMYRPOFKOS-DZGCQCFKSA-N 2 0 329.400 3.272 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000536858828 314150464 /nfs/dbraw/zinc/15/04/64/314150464.db2.gz SIEDCJJGNUDLLX-ULQDDVLXSA-N 2 0 349.475 3.443 20 5 EGBDRP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089513314 454158163 /nfs/dbraw/zinc/15/81/63/454158163.db2.gz MGONRJGSRJBDDM-OAHLLOKOSA-N 2 0 343.427 3.386 20 5 EGBDRP C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185723492 455606739 /nfs/dbraw/zinc/60/67/39/455606739.db2.gz UPZFKNOMHIPFLB-CVEARBPZSA-N 2 0 347.459 3.216 20 5 EGBDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347145793 457255789 /nfs/dbraw/zinc/25/57/89/457255789.db2.gz YGWDPDKCOYPJQZ-UKRRQHHQSA-N 2 0 329.400 3.414 20 5 EGBDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430572307 458463433 /nfs/dbraw/zinc/46/34/33/458463433.db2.gz FJWPZGBHOMEBNY-INIZCTEOSA-N 2 0 346.431 3.098 20 5 EGBDRP Cc1cc(NCC[NH+]2Cc3ccccc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611921921 460489954 /nfs/dbraw/zinc/48/99/54/460489954.db2.gz MUOGGQFLPKDKOF-UHFFFAOYSA-N 2 0 348.406 3.301 20 5 EGBDRP O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000827948129 1292410414 /nfs/dbraw/zinc/41/04/14/1292410414.db2.gz GJQODHTXEBUCNO-OAHLLOKOSA-N 2 0 337.851 3.460 20 5 EGBDRP CCc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000873253083 1297390490 /nfs/dbraw/zinc/39/04/90/1297390490.db2.gz ZCXLTCMYZYXMRS-UVBSCNOISA-N 2 0 329.400 3.167 20 5 EGBDRP [NH3+]CCc1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000817949538 1319473032 /nfs/dbraw/zinc/47/30/32/1319473032.db2.gz QXDCFIZOUCPYGW-LJQANCHMSA-N 2 0 339.439 3.207 20 5 EGBDRP c1ccc2c(c1)cc1ccccc1c2C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000843123242 1321473001 /nfs/dbraw/zinc/47/30/01/1321473001.db2.gz PQAOLTJEDAQLSQ-FQEVSTJZSA-N 2 0 345.490 3.473 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000849350556 1322117075 /nfs/dbraw/zinc/11/70/75/1322117075.db2.gz QGWQNSRVCDBCTQ-CQSZACIVSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001168996064 1384082282 /nfs/dbraw/zinc/08/22/82/1384082282.db2.gz URHYPPKLWAANQA-SJLPKXTDSA-N 2 0 349.450 3.073 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001169039155 1384098519 /nfs/dbraw/zinc/09/85/19/1384098519.db2.gz NTKQIZNDBYHOGU-MOPGFXCFSA-N 2 0 343.471 3.030 20 5 EGBDRP CC[NH+](CC)CCCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298033 1384285203 /nfs/dbraw/zinc/28/52/03/1384285203.db2.gz YONPADWGPSLIAZ-OAHLLOKOSA-N 2 0 337.464 3.246 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000178253860 285160938 /nfs/dbraw/zinc/16/09/38/285160938.db2.gz AMZURNHYZGWJKJ-LJQANCHMSA-N 2 0 343.471 3.380 20 5 EGBDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414792745 309101606 /nfs/dbraw/zinc/10/16/06/309101606.db2.gz CTNDMWRWZNJTFU-PBHICJAKSA-N 2 0 329.400 3.462 20 5 EGBDRP Cc1cc(NCCCC[N@@H+](C)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413350405 309028222 /nfs/dbraw/zinc/02/82/22/309028222.db2.gz WIOPNEINFHMJGK-UHFFFAOYSA-N 2 0 328.416 3.160 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)o2)c1 ZINC000414855155 309105876 /nfs/dbraw/zinc/10/58/76/309105876.db2.gz VTASXLCEOFANMO-CQSZACIVSA-N 2 0 329.400 3.334 20 5 EGBDRP C[C@H](CCCC[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415013854 309114419 /nfs/dbraw/zinc/11/44/19/309114419.db2.gz LHFFLNJJSOQNMB-GFCCVEGCSA-N 2 0 334.445 3.325 20 5 EGBDRP [NH3+]CC1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000423086166 309385170 /nfs/dbraw/zinc/38/51/70/309385170.db2.gz LLMFJEVTJIBGSC-UHFFFAOYSA-N 2 0 331.338 3.221 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091192 309385411 /nfs/dbraw/zinc/38/54/11/309385411.db2.gz WXIVTFSBTMPREG-SMDDNHRTSA-N 2 0 331.338 3.221 20 5 EGBDRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000423433855 309400310 /nfs/dbraw/zinc/40/03/10/309400310.db2.gz XGPFXTKIPOJOFK-IIDMSEBBSA-N 2 0 331.460 3.271 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423538664 309405630 /nfs/dbraw/zinc/40/56/30/309405630.db2.gz GULJLLLPRPFJID-YYTXDEJISA-N 2 0 343.471 3.284 20 5 EGBDRP Cc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000487073184 311009480 /nfs/dbraw/zinc/00/94/80/311009480.db2.gz PCPPULWFWYHGQV-GOSISDBHSA-N 2 0 328.416 3.228 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC[NH+](C)C ZINC000504900510 312012051 /nfs/dbraw/zinc/01/20/51/312012051.db2.gz ZBSWBLULFDKUBR-UONOGXRCSA-N 2 0 325.478 3.395 20 5 EGBDRP [NH3+]Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000580834751 325300598 /nfs/dbraw/zinc/30/05/98/325300598.db2.gz WLBOZFPHOIKUMZ-SFHVURJKSA-N 2 0 325.412 3.164 20 5 EGBDRP C[NH+](C)C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000125498613 454826797 /nfs/dbraw/zinc/82/67/97/454826797.db2.gz OSFKCGHQVJEGCZ-CQSZACIVSA-N 2 0 329.400 3.238 20 5 EGBDRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000268844444 455715515 /nfs/dbraw/zinc/71/55/15/455715515.db2.gz BJMHNYLQBLEGOM-OALUTQOASA-N 2 0 349.475 3.263 20 5 EGBDRP CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000339004551 456895710 /nfs/dbraw/zinc/89/57/10/456895710.db2.gz FRNQSMYUDVCSRL-GFCCVEGCSA-N 2 0 345.365 3.387 20 5 EGBDRP C[C@H]1CCCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613968 459207620 /nfs/dbraw/zinc/20/76/20/459207620.db2.gz NMLFJYXBWOBZDM-YJBOKZPZSA-N 2 0 331.460 3.237 20 5 EGBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592433667 459599500 /nfs/dbraw/zinc/59/95/00/459599500.db2.gz OOAILWWNNBQFCW-KGLIPLIRSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000602532997 459987274 /nfs/dbraw/zinc/98/72/74/459987274.db2.gz MPGGBWLYIIFNQS-UHFFFAOYSA-N 2 0 331.460 3.382 20 5 EGBDRP [NH3+]CCCCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000843128632 1321474193 /nfs/dbraw/zinc/47/41/93/1321474193.db2.gz YSSCPAOSUSLYOM-UHFFFAOYSA-N 2 0 334.445 3.327 20 5 EGBDRP [NH2+]=C(NCCCC[NH3+])Nc1nc2c(ccc3ccccc32)nc1Cl ZINC001167880270 1383764840 /nfs/dbraw/zinc/76/48/40/1383764840.db2.gz FLJMNRAHAOMLIB-UHFFFAOYSA-N 2 0 342.834 3.112 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001168990415 1384080283 /nfs/dbraw/zinc/08/02/83/1384080283.db2.gz CNFXEDNDJHQHEW-MOPGFXCFSA-N 2 0 337.508 3.314 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999447 1384082631 /nfs/dbraw/zinc/08/26/31/1384082631.db2.gz TZIGSGGGULBMOM-NCXUSEDFSA-N 2 0 331.460 3.204 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997732 1384082874 /nfs/dbraw/zinc/08/28/74/1384082874.db2.gz FGAOFLODUARSPD-NXWXRZEISA-N 2 0 349.450 3.343 20 5 EGBDRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903167 1384874716 /nfs/dbraw/zinc/87/47/16/1384874716.db2.gz FUZRYLYTXQSKOR-BZSNNMDCSA-N 2 0 331.460 3.305 20 5 EGBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001173232171 1384941708 /nfs/dbraw/zinc/94/17/08/1384941708.db2.gz DGDQHHDAACDAQR-MRXNPFEDSA-N 2 0 341.455 3.420 20 5 EGBDRP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000089513313 217807308 /nfs/dbraw/zinc/80/73/08/217807308.db2.gz MGONRJGSRJBDDM-HNNXBMFYSA-N 2 0 343.427 3.386 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 ZINC000346822087 156152350 /nfs/dbraw/zinc/15/23/50/156152350.db2.gz FDUPIZSKTFGOKH-RRQGHBQHSA-N 2 0 341.411 3.414 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000367439878 168226038 /nfs/dbraw/zinc/22/60/38/168226038.db2.gz XZLLYFVXKHEBOF-CYBMUJFWSA-N 2 0 344.415 3.377 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414811786 309103100 /nfs/dbraw/zinc/10/31/00/309103100.db2.gz WNDMGXMGAMPRLG-WMLDXEAASA-N 2 0 329.400 3.462 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)o2)cc1 ZINC000414847233 309105290 /nfs/dbraw/zinc/10/52/90/309105290.db2.gz IHINJTCKBVPKPL-CQSZACIVSA-N 2 0 329.400 3.334 20 5 EGBDRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414897287 309108115 /nfs/dbraw/zinc/10/81/15/309108115.db2.gz RBHPHRWAITVQCJ-AWEZNQCLSA-N 2 0 328.416 3.190 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000415008297 309114113 /nfs/dbraw/zinc/11/41/13/309114113.db2.gz SFZTVOHYOMIRBW-ONIAQPFYSA-N 2 0 331.460 3.413 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000423388932 309398199 /nfs/dbraw/zinc/39/81/99/309398199.db2.gz NUBJICCGFUFHMD-LJQANCHMSA-N 2 0 337.423 3.309 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000579719032 325150779 /nfs/dbraw/zinc/15/07/79/325150779.db2.gz RGVOJRUPEQIOPY-GJZGRUSLSA-N 2 0 343.452 3.365 20 5 EGBDRP CCOc1cc(CN2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000276841304 456596201 /nfs/dbraw/zinc/59/62/01/456596201.db2.gz CKHDXJOEQKBVPP-KRWDZBQOSA-N 2 0 347.459 3.444 20 5 EGBDRP C[C@H](CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447607374 458322062 /nfs/dbraw/zinc/32/20/62/458322062.db2.gz RTKSIVXQITXMDO-BRWVUGGUSA-N 2 0 349.479 3.129 20 5 EGBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000442930085 459062751 /nfs/dbraw/zinc/06/27/51/459062751.db2.gz SODIHQVLFHMSEX-CQSZACIVSA-N 2 0 329.400 3.416 20 5 EGBDRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610448143 460153367 /nfs/dbraw/zinc/15/33/67/460153367.db2.gz BLJNWIGOGWSJSD-KRWDZBQOSA-N 2 0 347.459 3.027 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1Cl ZINC000827843570 1292386023 /nfs/dbraw/zinc/38/60/23/1292386023.db2.gz FJEGCIFIRNOYSV-UHFFFAOYSA-N 2 0 337.851 3.460 20 5 EGBDRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000904406746 1317844160 /nfs/dbraw/zinc/84/41/60/1317844160.db2.gz ZHQCOADKOXTHJN-ZDUSSCGKSA-N 2 0 331.441 3.494 20 5 EGBDRP [NH3+]CCN(c1cccc2ccccc21)c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162005466 1382596895 /nfs/dbraw/zinc/59/68/95/1382596895.db2.gz NPPHUUVWQQQSAH-UHFFFAOYSA-N 2 0 348.406 3.448 20 5 EGBDRP CC[N+](C)(C)Cc1ccccc1NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001163061406 1382959125 /nfs/dbraw/zinc/95/91/25/1382959125.db2.gz URZMYURJKGMGMZ-SFHVURJKSA-N 2 0 341.523 3.306 20 5 EGBDRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169699091 1384174929 /nfs/dbraw/zinc/17/49/29/1384174929.db2.gz UVQZIICJHHOEDA-INIZCTEOSA-N 2 0 338.411 3.438 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307595 1384286871 /nfs/dbraw/zinc/28/68/71/1384286871.db2.gz HWVSWCMQCWLLRE-JKSUJKDBSA-N 2 0 349.475 3.389 20 5 EGBDRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172913271 1384876683 /nfs/dbraw/zinc/87/66/83/1384876683.db2.gz QKSWKCNEMSPSIE-OTWHNJEPSA-N 2 0 343.471 3.116 20 5 EGBDRP CC(C)([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001331980307 1389933376 /nfs/dbraw/zinc/93/33/76/1389933376.db2.gz GYYLVCYEWVGHKI-UHFFFAOYSA-N 2 0 325.412 3.265 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414792747 309101670 /nfs/dbraw/zinc/10/16/70/309101670.db2.gz CTNDMWRWZNJTFU-WMLDXEAASA-N 2 0 329.400 3.462 20 5 EGBDRP Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1[N+](=O)[O-] ZINC000422923737 309376476 /nfs/dbraw/zinc/37/64/76/309376476.db2.gz WWAAXYUPHALIHW-CHWSQXEVSA-N 2 0 328.416 3.477 20 5 EGBDRP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423041359 309382537 /nfs/dbraw/zinc/38/25/37/309382537.db2.gz IZAILAQOMYVUBD-BZUAXINKSA-N 2 0 337.851 3.301 20 5 EGBDRP CCC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154393471 454892812 /nfs/dbraw/zinc/89/28/12/454892812.db2.gz WWXOZGYJZAGHRO-IBGZPJMESA-N 2 0 348.491 3.053 20 5 EGBDRP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302106445 456289328 /nfs/dbraw/zinc/28/93/28/456289328.db2.gz XUGUDIHNBQUNBJ-KSSFIOAISA-N 2 0 340.427 3.372 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000534328442 459315495 /nfs/dbraw/zinc/31/54/95/459315495.db2.gz IRZURNGJVHOWGA-HUUCEWRRSA-N 2 0 337.489 3.397 20 5 EGBDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000602021179 460992807 /nfs/dbraw/zinc/99/28/07/460992807.db2.gz OGJAHNWBPCHIAP-AHCXZYCDSA-N 2 0 331.460 3.413 20 5 EGBDRP Cc1c([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000178037438 533944844 /nfs/dbraw/zinc/94/48/44/533944844.db2.gz YLUZKVIDHRSCHL-BFYDXBDKSA-N 2 0 349.475 3.443 20 5 EGBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032887 1321204827 /nfs/dbraw/zinc/20/48/27/1321204827.db2.gz HDIHJZIKZINDLX-HNNXBMFYSA-N 2 0 327.428 3.207 20 5 EGBDRP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925491762 1325175506 /nfs/dbraw/zinc/17/55/06/1325175506.db2.gz RJMSIXVMEGOZBO-KRWDZBQOSA-N 2 0 329.400 3.173 20 5 EGBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000866350264 1330100456 /nfs/dbraw/zinc/10/04/56/1330100456.db2.gz YFAPQKUKTXXEMH-CYBMUJFWSA-N 2 0 335.423 3.129 20 5 EGBDRP [NH3+][C@@H]1CC[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001205945704 1370920007 /nfs/dbraw/zinc/92/00/07/1370920007.db2.gz BYUORYNXHCAVFT-WOJBJXKFSA-N 2 0 330.431 3.478 20 5 EGBDRP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000046 1384084225 /nfs/dbraw/zinc/08/42/25/1384084225.db2.gz WZFNOVWRHLRSEI-CJNGLKHVSA-N 2 0 337.851 3.035 20 5 EGBDRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040360 1384098562 /nfs/dbraw/zinc/09/85/62/1384098562.db2.gz ZJBSHDLCFGHDPT-VQTJNVASSA-N 2 0 345.487 3.276 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001170305538 1384287028 /nfs/dbraw/zinc/28/70/28/1384287028.db2.gz MVIHLUNBXXJSRD-OAHLLOKOSA-N 2 0 335.448 3.000 20 5 EGBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904021 1384875059 /nfs/dbraw/zinc/87/50/59/1384875059.db2.gz VEDOKFFWDHEDLD-OKZBNKHCSA-N 2 0 331.460 3.305 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC001172912383 1384876207 /nfs/dbraw/zinc/87/62/07/1384876207.db2.gz NVPUVGLWWMAWQS-GOSISDBHSA-N 2 0 331.460 3.308 20 5 EGBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCCCCCC[NH3+])c1F ZINC001173182685 1384932758 /nfs/dbraw/zinc/93/27/58/1384932758.db2.gz JYPAJXFKAGXEKX-ZDUSSCGKSA-N 2 0 341.427 3.172 20 5 EGBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001173213653 1384936942 /nfs/dbraw/zinc/93/69/42/1384936942.db2.gz JJXHILAORQEVQW-OAHLLOKOSA-N 2 0 327.428 3.377 20 5 EGBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]21 ZINC000346836759 156158769 /nfs/dbraw/zinc/15/87/69/156158769.db2.gz VOBVDRLQLHLROF-FHLIZLRMSA-N 2 0 341.411 3.414 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]12 ZINC000346845149 156160704 /nfs/dbraw/zinc/16/07/04/156160704.db2.gz ZLQZBEVICKRMNS-VBNZEHGJSA-N 2 0 327.384 3.024 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]12 ZINC000346845148 156160728 /nfs/dbraw/zinc/16/07/28/156160728.db2.gz ZLQZBEVICKRMNS-UHOFOFEASA-N 2 0 327.384 3.024 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000415008289 309114061 /nfs/dbraw/zinc/11/40/61/309114061.db2.gz SFZTVOHYOMIRBW-BURFUSLBSA-N 2 0 331.460 3.413 20 5 EGBDRP CCc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423254209 309392501 /nfs/dbraw/zinc/39/25/01/309392501.db2.gz XPCBKCWTRUIOEJ-LIRRHRJNSA-N 2 0 343.427 3.429 20 5 EGBDRP Cc1cc(NCC2CC[NH+](C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000444871296 309932481 /nfs/dbraw/zinc/93/24/81/309932481.db2.gz GYRWILSWKOZPMG-UHFFFAOYSA-N 2 0 340.427 3.160 20 5 EGBDRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245418523 455293146 /nfs/dbraw/zinc/29/31/46/455293146.db2.gz AVSXQXSQTZTOES-FCEWJHQRSA-N 2 0 349.475 3.382 20 5 EGBDRP CN(Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000339004554 456895100 /nfs/dbraw/zinc/89/51/00/456895100.db2.gz FRNQSMYUDVCSRL-LBPRGKRZSA-N 2 0 345.365 3.387 20 5 EGBDRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000347175475 457272360 /nfs/dbraw/zinc/27/23/60/457272360.db2.gz PRUNDQWPCXPTFN-UHFFFAOYSA-N 2 0 329.400 3.286 20 5 EGBDRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580195 458314695 /nfs/dbraw/zinc/31/46/95/458314695.db2.gz NNHLEIHVQYSXIH-HOTGVXAUSA-N 2 0 349.479 3.128 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283160 458603627 /nfs/dbraw/zinc/60/36/27/458603627.db2.gz AXDFBHKBYKHXFI-HNNXBMFYSA-N 2 0 347.459 3.346 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594735642 459146420 /nfs/dbraw/zinc/14/64/20/459146420.db2.gz MBPWUTSZYZGFFN-NCRRVARUSA-N 2 0 329.444 3.320 20 5 EGBDRP [NH3+][C@@]12CCC[C@@H]1CN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717460 460005377 /nfs/dbraw/zinc/00/53/77/460005377.db2.gz FPNNDSOLBYFXSU-RDTXWAMCSA-N 2 0 327.384 3.168 20 5 EGBDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000589197656 460050957 /nfs/dbraw/zinc/05/09/57/460050957.db2.gz KGSFGWJCZUMYQA-AWEZNQCLSA-N 2 0 337.851 3.412 20 5 EGBDRP C[C@@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578948 1319019909 /nfs/dbraw/zinc/01/99/09/1319019909.db2.gz AOPFTAFJARPZSB-OAHLLOKOSA-N 2 0 334.464 3.484 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000850420057 1322243706 /nfs/dbraw/zinc/24/37/06/1322243706.db2.gz KWZJZWCVYLKYHD-UHFFFAOYSA-N 2 0 337.851 3.460 20 5 EGBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866239922 1330083886 /nfs/dbraw/zinc/08/38/86/1330083886.db2.gz WVTAJAPMLVZWMX-CYBMUJFWSA-N 2 0 335.423 3.129 20 5 EGBDRP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169046364 1384100155 /nfs/dbraw/zinc/10/01/55/1384100155.db2.gz LFGMAHLWLBBDEI-RBUKOAKNSA-N 2 0 337.508 3.266 20 5 EGBDRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001169699092 1384175014 /nfs/dbraw/zinc/17/50/14/1384175014.db2.gz UVQZIICJHHOEDA-MRXNPFEDSA-N 2 0 338.411 3.438 20 5 EGBDRP [NH3+]C1(CC2CC2)CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172904634 1384875545 /nfs/dbraw/zinc/87/55/45/1384875545.db2.gz OZXZEKCSWYZJRF-GOSISDBHSA-N 2 0 343.471 3.436 20 5 EGBDRP CC(C)c1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000414794018 309101821 /nfs/dbraw/zinc/10/18/21/309101821.db2.gz VDYMROXUWFQURD-MJGOQNOKSA-N 2 0 347.459 3.046 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014083 309114365 /nfs/dbraw/zinc/11/43/65/309114365.db2.gz WIMHMKWBYAWCTB-DSLXNQLJSA-N 2 0 343.471 3.284 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014085 309114431 /nfs/dbraw/zinc/11/44/31/309114431.db2.gz WIMHMKWBYAWCTB-GDAAHCPNSA-N 2 0 343.471 3.284 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1C[NH3+] ZINC000415127359 309122389 /nfs/dbraw/zinc/12/23/89/309122389.db2.gz MULBDEBFZMPWEQ-ZIAGYGMSSA-N 2 0 329.400 3.272 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423543994 309405854 /nfs/dbraw/zinc/40/58/54/309405854.db2.gz NSLIUWSHBLZFQH-KLHDSHLOSA-N 2 0 349.500 3.443 20 5 EGBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)o1 ZINC000430911780 309620653 /nfs/dbraw/zinc/62/06/53/309620653.db2.gz CUSYGHUCWPDCFC-UHFFFAOYSA-N 2 0 341.411 3.430 20 5 EGBDRP Cc1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000487073185 311009409 /nfs/dbraw/zinc/00/94/09/311009409.db2.gz PCPPULWFWYHGQV-SFHVURJKSA-N 2 0 328.416 3.228 20 5 EGBDRP C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC000165271745 454896987 /nfs/dbraw/zinc/89/69/87/454896987.db2.gz WRUHSBDFZNXZDS-YJBOKZPZSA-N 2 0 331.460 3.237 20 5 EGBDRP C[NH+]1CCC(C)(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000272632324 456019769 /nfs/dbraw/zinc/01/97/69/456019769.db2.gz YAUVFEDMBXOVFY-UHFFFAOYSA-N 2 0 343.374 3.018 20 5 EGBDRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000290574210 456369019 /nfs/dbraw/zinc/36/90/19/456369019.db2.gz UANRJTBIDHEGCM-MJICGBHWSA-N 2 0 329.444 3.272 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435368636 458120963 /nfs/dbraw/zinc/12/09/63/458120963.db2.gz BXWKQNSRQJZGHH-CHWSQXEVSA-N 2 0 345.399 3.033 20 5 EGBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595105066 459246941 /nfs/dbraw/zinc/24/69/41/459246941.db2.gz WMVVQTWAJRRNSH-CQSZACIVSA-N 2 0 347.459 3.376 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)C1CC1 ZINC000591582325 459406889 /nfs/dbraw/zinc/40/68/89/459406889.db2.gz IKBBSUKDGJNHHG-IAGOWNOFSA-N 2 0 329.444 3.180 20 5 EGBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ccccc3[N+](=O)[O-])o1)C2 ZINC000593314298 459837863 /nfs/dbraw/zinc/83/78/63/459837863.db2.gz BWRCLUUALGAUSX-LIRRHRJNSA-N 2 0 341.411 3.416 20 5 EGBDRP CC(C)[N@H+](C)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000609133461 459907485 /nfs/dbraw/zinc/90/74/85/459907485.db2.gz KFKHFXNVOAKDMO-UHFFFAOYSA-N 2 0 335.448 3.026 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC000178253843 534887899 /nfs/dbraw/zinc/88/78/99/534887899.db2.gz AMZURNHYZGWJKJ-IBGZPJMESA-N 2 0 343.471 3.380 20 5 EGBDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000809756947 1317893891 /nfs/dbraw/zinc/89/38/91/1317893891.db2.gz VGJPTYCTJQDUHZ-OAHLLOKOSA-N 2 0 337.851 3.412 20 5 EGBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032888 1321204288 /nfs/dbraw/zinc/20/42/88/1321204288.db2.gz HDIHJZIKZINDLX-OAHLLOKOSA-N 2 0 327.428 3.207 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999448 1384082880 /nfs/dbraw/zinc/08/28/80/1384082880.db2.gz TZIGSGGGULBMOM-VJANTYMQSA-N 2 0 331.460 3.204 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001169037687 1384097298 /nfs/dbraw/zinc/09/72/98/1384097298.db2.gz SREDBFUIGPTNBB-VAMGGRTRSA-N 2 0 343.471 3.030 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001169037684 1384097452 /nfs/dbraw/zinc/09/74/52/1384097452.db2.gz SREDBFUIGPTNBB-AABGKKOBSA-N 2 0 343.471 3.030 20 5 EGBDRP Cc1cc(N2CC[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)CC2)cc[nH+]1 ZINC001173237752 1384942992 /nfs/dbraw/zinc/94/29/92/1384942992.db2.gz LZZJKLASFRNHTJ-INIZCTEOSA-N 2 0 340.427 3.051 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]12 ZINC000346845146 156161138 /nfs/dbraw/zinc/16/11/38/156161138.db2.gz ZLQZBEVICKRMNS-APHBMKBZSA-N 2 0 327.384 3.024 20 5 EGBDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000350227883 279109824 /nfs/dbraw/zinc/10/98/24/279109824.db2.gz WTBSWPFOSNWXCG-JKSUJKDBSA-N 2 0 335.448 3.089 20 5 EGBDRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414884120 309107083 /nfs/dbraw/zinc/10/70/83/309107083.db2.gz VNDRMEYVYCBOIW-AWEZNQCLSA-N 2 0 328.416 3.047 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420398366 309286319 /nfs/dbraw/zinc/28/63/19/309286319.db2.gz YLSRRLSMBOBBDG-QOKNQOGYSA-N 2 0 347.459 3.183 20 5 EGBDRP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000089512203 454157309 /nfs/dbraw/zinc/15/73/09/454157309.db2.gz HOHFGGDEHOMYJO-OAHLLOKOSA-N 2 0 343.427 3.386 20 5 EGBDRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000162584021 454785860 /nfs/dbraw/zinc/78/58/60/454785860.db2.gz HKBIXWNLLWNATK-OAHLLOKOSA-N 2 0 343.427 3.386 20 5 EGBDRP C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC000165271983 454897094 /nfs/dbraw/zinc/89/70/94/454897094.db2.gz WRUHSBDFZNXZDS-MAUKXSAKSA-N 2 0 331.460 3.237 20 5 EGBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000246943883 455537113 /nfs/dbraw/zinc/53/71/13/455537113.db2.gz GZPIOFKOJAAJIY-KZNAEPCWSA-N 2 0 331.460 3.378 20 5 EGBDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247040699 455549780 /nfs/dbraw/zinc/54/97/80/455549780.db2.gz OCPBTNRUOPHABC-BZUAXINKSA-N 2 0 335.448 3.135 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@]4(CC[NH2+]C4)C3)o2)cc1 ZINC000261695357 455929993 /nfs/dbraw/zinc/92/99/93/455929993.db2.gz BEYPQJVBRINYGP-SFHVURJKSA-N 2 0 327.384 3.040 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@]4(CC[NH2+]C4)C3)o2)c1 ZINC000262063061 455992173 /nfs/dbraw/zinc/99/21/73/455992173.db2.gz RHGCZAPLUNRDAU-GOSISDBHSA-N 2 0 327.384 3.040 20 5 EGBDRP CC[NH+](CC)[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000302194983 456314279 /nfs/dbraw/zinc/31/42/79/456314279.db2.gz SIEGOQAXJRPZQT-OAHLLOKOSA-N 2 0 328.416 3.372 20 5 EGBDRP CCC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000327328846 456705538 /nfs/dbraw/zinc/70/55/38/456705538.db2.gz XQFMPAMLWWYRAI-SFHVURJKSA-N 2 0 348.491 3.052 20 5 EGBDRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347073667 457217382 /nfs/dbraw/zinc/21/73/82/457217382.db2.gz RUPLYEULISAQDP-ZIAGYGMSSA-N 2 0 329.400 3.414 20 5 EGBDRP CC(C)[N@H+](C)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524156171 459349700 /nfs/dbraw/zinc/34/97/00/459349700.db2.gz PGSMELPCBWWMTC-UHFFFAOYSA-N 2 0 335.448 3.026 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433673 459600119 /nfs/dbraw/zinc/60/01/19/459600119.db2.gz PEXDCNMOCBTFAM-HZPDHXFCSA-N 2 0 347.459 3.205 20 5 EGBDRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160227564 528219558 /nfs/dbraw/zinc/21/95/58/528219558.db2.gz QLBXWFXXTDRMCA-IBGZPJMESA-N 2 0 348.491 3.052 20 5 EGBDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000904404609 1317841913 /nfs/dbraw/zinc/84/19/13/1317841913.db2.gz AMGWLHPRBCSWFV-CYBMUJFWSA-N 2 0 331.441 3.494 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000850421337 1322245662 /nfs/dbraw/zinc/24/56/62/1322245662.db2.gz XCAZXTRHWJLJJI-UHFFFAOYSA-N 2 0 337.851 3.460 20 5 EGBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000866350265 1330100680 /nfs/dbraw/zinc/10/06/80/1330100680.db2.gz YFAPQKUKTXXEMH-ZDUSSCGKSA-N 2 0 335.423 3.129 20 5 EGBDRP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000866393437 1330106115 /nfs/dbraw/zinc/10/61/15/1330106115.db2.gz OEBAPHCGUBDWBN-ZBFHGGJFSA-N 2 0 349.450 3.377 20 5 EGBDRP C[C@@H](C[N+](C)(C)C)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228831057 1375689064 /nfs/dbraw/zinc/68/90/64/1375689064.db2.gz XQHITNFQKANDNG-HNNXBMFYSA-N 2 0 330.496 3.451 20 5 EGBDRP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992510 1384080612 /nfs/dbraw/zinc/08/06/12/1384080612.db2.gz KFMMRFUKGKBFQK-XJKSGUPXSA-N 2 0 337.851 3.035 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170295229 1384284766 /nfs/dbraw/zinc/28/47/66/1384284766.db2.gz BJCWIGFSRJFNOI-INIZCTEOSA-N 2 0 349.475 3.246 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001170328779 1384292170 /nfs/dbraw/zinc/29/21/70/1384292170.db2.gz MIODTUQRDWWBCJ-UQPPLGOBSA-N 2 0 349.475 3.244 20 5 EGBDRP [NH3+]CCC1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901007 1384874241 /nfs/dbraw/zinc/87/42/41/1384874241.db2.gz FLOJFUDWWHEHEA-IUPXNIOVSA-N 2 0 331.460 3.339 20 5 EGBDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000344190978 164123264 /nfs/dbraw/zinc/12/32/64/164123264.db2.gz YJFCIKOKGMLRMY-QGZVFWFLSA-N 2 0 348.491 3.005 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CC1 ZINC000178409255 265314441 /nfs/dbraw/zinc/31/44/41/265314441.db2.gz DKSHTJJNQSAWMT-SFHVURJKSA-N 2 0 331.460 3.382 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414655981 309093831 /nfs/dbraw/zinc/09/38/31/309093831.db2.gz DYEXMJBACXTTFK-QWHCGFSZSA-N 2 0 345.399 3.033 20 5 EGBDRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414811784 309103011 /nfs/dbraw/zinc/10/30/11/309103011.db2.gz WNDMGXMGAMPRLG-RHSMWYFYSA-N 2 0 329.400 3.462 20 5 EGBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414827298 309104140 /nfs/dbraw/zinc/10/41/40/309104140.db2.gz KIERFWJLTLLQGF-ZDUSSCGKSA-N 2 0 331.441 3.413 20 5 EGBDRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414998457 309113406 /nfs/dbraw/zinc/11/34/06/309113406.db2.gz QQOAEYHAEXIOAS-ZIAGYGMSSA-N 2 0 329.400 3.462 20 5 EGBDRP C[NH+](C)C1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000421869826 309344339 /nfs/dbraw/zinc/34/43/39/309344339.db2.gz DPOLXVKDNNRCIE-ABHNRTSZSA-N 2 0 331.460 3.378 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000423552480 309406095 /nfs/dbraw/zinc/40/60/95/309406095.db2.gz VBPQGXNDBOKWAP-DRPJVOAASA-N 2 0 333.432 3.032 20 5 EGBDRP CSC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[NH+](C)CC1 ZINC000565804450 316371421 /nfs/dbraw/zinc/37/14/21/316371421.db2.gz VRHSRBOEGDNXGP-CQSZACIVSA-N 2 0 337.489 3.381 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600678631 460565977 /nfs/dbraw/zinc/56/59/77/460565977.db2.gz NQXPYVYMTIZHNL-ZVZYQTTQSA-N 2 0 329.444 3.180 20 5 EGBDRP CC[NH+](CC)CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000051908635 454641521 /nfs/dbraw/zinc/64/15/21/454641521.db2.gz UYTIYHVHFOSBPK-UHFFFAOYSA-N 2 0 335.448 3.027 20 5 EGBDRP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347145786 457255678 /nfs/dbraw/zinc/25/56/78/457255678.db2.gz YGWDPDKCOYPJQZ-HIFRSBDPSA-N 2 0 329.400 3.414 20 5 EGBDRP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435391919 458136050 /nfs/dbraw/zinc/13/60/50/458136050.db2.gz UTSLZKOTOHOLJO-ZDUSSCGKSA-N 2 0 331.441 3.365 20 5 EGBDRP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CCC[NH2+]CC1 ZINC000435432044 458144807 /nfs/dbraw/zinc/14/48/07/458144807.db2.gz HGHALUDDCPUFRK-CQSZACIVSA-N 2 0 329.400 3.429 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595000941 459211138 /nfs/dbraw/zinc/21/11/38/459211138.db2.gz NNWWKEYYPZUOKE-HWKANZROSA-N 2 0 329.444 3.320 20 5 EGBDRP O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)c2ccccc2)c1 ZINC000591581238 459406034 /nfs/dbraw/zinc/40/60/34/459406034.db2.gz OWZIZVVHGPAMLT-OALUTQOASA-N 2 0 337.423 3.416 20 5 EGBDRP [NH3+]Cc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c(F)c1 ZINC000593323940 459842534 /nfs/dbraw/zinc/84/25/34/459842534.db2.gz UCNVLIAORYCVBO-SFHVURJKSA-N 2 0 343.402 3.304 20 5 EGBDRP O=[N+]([O-])c1ccc(CC[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602582713 460009420 /nfs/dbraw/zinc/00/94/20/460009420.db2.gz SZIHOHQSSLASIB-UHFFFAOYSA-N 2 0 340.427 3.039 20 5 EGBDRP [NH3+]CC1(c2ccccc2)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903794369 1317736924 /nfs/dbraw/zinc/73/69/24/1317736924.db2.gz SAVGWYHCKBTINP-UHFFFAOYSA-N 2 0 339.439 3.130 20 5 EGBDRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000904404610 1317842483 /nfs/dbraw/zinc/84/24/83/1317842483.db2.gz AMGWLHPRBCSWFV-ZDUSSCGKSA-N 2 0 331.441 3.494 20 5 EGBDRP [NH3+]C[C@H]1C[N@H+](Cc2c3ccccc3c(Cl)c3ccccc32)C[C@H]1O ZINC001206476913 1371066765 /nfs/dbraw/zinc/06/67/65/1371066765.db2.gz YEVSKFUKBWMCNS-ORAYPTAESA-N 2 0 340.854 3.398 20 5 EGBDRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040359 1384098314 /nfs/dbraw/zinc/09/83/14/1384098314.db2.gz ZJBSHDLCFGHDPT-UXHICEINSA-N 2 0 345.487 3.276 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001169039156 1384098340 /nfs/dbraw/zinc/09/83/40/1384098340.db2.gz NTKQIZNDBYHOGU-OALUTQOASA-N 2 0 343.471 3.030 20 5 EGBDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900022 1384874134 /nfs/dbraw/zinc/87/41/34/1384874134.db2.gz RHFOSXHWUVOMFF-YJBOKZPZSA-N 2 0 331.460 3.164 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001172905011 1384875480 /nfs/dbraw/zinc/87/54/80/1384875480.db2.gz POKFFTWHOGZDJE-SFHVURJKSA-N 2 0 343.471 3.306 20 5 EGBDRP C[NH+](C)CC1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910867 1384875882 /nfs/dbraw/zinc/87/58/82/1384875882.db2.gz PNLDUWYRXYGZPD-SFHVURJKSA-N 2 0 331.460 3.116 20 5 EGBDRP Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292986975 308087160 /nfs/dbraw/zinc/08/71/60/308087160.db2.gz GEGCELIMVPIRPV-OAHLLOKOSA-N 2 0 340.427 3.374 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)o2)c([N+](=O)[O-])c1 ZINC000414655976 309093842 /nfs/dbraw/zinc/09/38/42/309093842.db2.gz DYEXMJBACXTTFK-CHWSQXEVSA-N 2 0 345.399 3.033 20 5 EGBDRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000414989862 309113097 /nfs/dbraw/zinc/11/30/97/309113097.db2.gz HPARJVJRVIFJIZ-HIFRSBDPSA-N 2 0 329.400 3.462 20 5 EGBDRP C[C@@H](CCCC[NH3+])[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415013855 309114401 /nfs/dbraw/zinc/11/44/01/309114401.db2.gz LHFFLNJJSOQNMB-LBPRGKRZSA-N 2 0 334.445 3.325 20 5 EGBDRP C[NH+](C)CCCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000123624830 454658287 /nfs/dbraw/zinc/65/82/87/454658287.db2.gz AMAJSBAVRVXICK-UHFFFAOYSA-N 2 0 335.448 3.027 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245586275 455336086 /nfs/dbraw/zinc/33/60/86/455336086.db2.gz JWRPICUVZNOMMD-YOEHRIQHSA-N 2 0 344.415 3.273 20 5 EGBDRP C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736340 455610501 /nfs/dbraw/zinc/61/05/01/455610501.db2.gz IOKGLUOUZZYFFJ-HZPDHXFCSA-N 2 0 347.459 3.216 20 5 EGBDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435374014 458124754 /nfs/dbraw/zinc/12/47/54/458124754.db2.gz PAAOFCJLAFHTRR-GXTWGEPZSA-N 2 0 331.441 3.492 20 5 EGBDRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435399126 458137826 /nfs/dbraw/zinc/13/78/26/458137826.db2.gz VLKYIBLBAJCXCB-CYBMUJFWSA-N 2 0 331.441 3.494 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423457635 458435652 /nfs/dbraw/zinc/43/56/52/458435652.db2.gz IVXWZPLDKVFVRF-XAZSACEBSA-N 2 0 329.444 3.021 20 5 EGBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592433669 459599701 /nfs/dbraw/zinc/59/97/01/459599701.db2.gz OOAILWWNNBQFCW-ZIAGYGMSSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000593322537 459841054 /nfs/dbraw/zinc/84/10/54/459841054.db2.gz OIRSFMJPTQDQPL-WMZOPIPTSA-N 2 0 331.460 3.285 20 5 EGBDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602512543 459976768 /nfs/dbraw/zinc/97/67/68/459976768.db2.gz CBJALVSZHGQKCG-CQSZACIVSA-N 2 0 346.431 3.480 20 5 EGBDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602551678 459993947 /nfs/dbraw/zinc/99/39/47/459993947.db2.gz PKIXDCDOGJMPFP-UHFFFAOYSA-N 2 0 345.365 3.435 20 5 EGBDRP Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611921290 460489397 /nfs/dbraw/zinc/48/93/97/460489397.db2.gz OYELVAGVSKPNRR-AWEZNQCLSA-N 2 0 328.416 3.418 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126567 1321474469 /nfs/dbraw/zinc/47/44/69/1321474469.db2.gz KMXYZKSPUIXBKL-KBPBESRZSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000843127904 1321474569 /nfs/dbraw/zinc/47/45/69/1321474569.db2.gz UICDNCUMXDJEDY-ZIAGYGMSSA-N 2 0 337.851 3.460 20 5 EGBDRP CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001160739241 1382182726 /nfs/dbraw/zinc/18/27/26/1382182726.db2.gz VAAGTJDPXKBHRF-NRFANRHFSA-N 2 0 349.478 3.408 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001168961624 1384071489 /nfs/dbraw/zinc/07/14/89/1384071489.db2.gz JEWSWXIUMXEFRN-UJMXGEILSA-N 2 0 343.471 3.217 20 5 EGBDRP CC[NH+]1CCC(CC2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169046365 1384100044 /nfs/dbraw/zinc/10/00/44/1384100044.db2.gz LFGMAHLWLBBDEI-RTBURBONSA-N 2 0 337.508 3.266 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]12 ZINC000346821589 156153237 /nfs/dbraw/zinc/15/32/37/156153237.db2.gz IUEWYBKHYQTBEX-XOKHGSTOSA-N 2 0 327.384 3.024 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]12 ZINC000346852151 156164592 /nfs/dbraw/zinc/16/45/92/156164592.db2.gz WKFMKWYTOXHFMW-RRQGHBQHSA-N 2 0 327.384 3.024 20 5 EGBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000349155596 156369814 /nfs/dbraw/zinc/36/98/14/156369814.db2.gz WBVXVLYRAKDHSO-DNXIFWLFSA-N 2 0 326.400 3.221 20 5 EGBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278526134 268031936 /nfs/dbraw/zinc/03/19/36/268031936.db2.gz SXORFGHFDOLCIY-OAHLLOKOSA-N 2 0 331.460 3.380 20 5 EGBDRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414999368 309113433 /nfs/dbraw/zinc/11/34/33/309113433.db2.gz RTUUNMSFDUFHRK-HIFRSBDPSA-N 2 0 329.400 3.462 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000536858832 314150430 /nfs/dbraw/zinc/15/04/30/314150430.db2.gz SIEDCJJGNUDLLX-ZACQAIPSSA-N 2 0 349.475 3.443 20 5 EGBDRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000581071166 325326988 /nfs/dbraw/zinc/32/69/88/325326988.db2.gz HMZLQKVEIFWMPB-CYBMUJFWSA-N 2 0 331.441 3.494 20 5 EGBDRP CCCC[N@H+](C)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065223100 454539658 /nfs/dbraw/zinc/53/96/58/454539658.db2.gz ZVGXVCKXHVEPCR-UHFFFAOYSA-N 2 0 349.475 3.418 20 5 EGBDRP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000162583918 454785814 /nfs/dbraw/zinc/78/58/14/454785814.db2.gz HKBIXWNLLWNATK-HNNXBMFYSA-N 2 0 343.427 3.386 20 5 EGBDRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000271814495 455771294 /nfs/dbraw/zinc/77/12/94/455771294.db2.gz LSGNLKDJLJEFDQ-UHFFFAOYSA-N 2 0 327.384 3.206 20 5 EGBDRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369950 458121576 /nfs/dbraw/zinc/12/15/76/458121576.db2.gz GVPLOVIVPVINJF-QWHCGFSZSA-N 2 0 331.441 3.492 20 5 EGBDRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369951 458121602 /nfs/dbraw/zinc/12/16/02/458121602.db2.gz GVPLOVIVPVINJF-STQMWFEESA-N 2 0 331.441 3.492 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000423552482 458457296 /nfs/dbraw/zinc/45/72/96/458457296.db2.gz VBPQGXNDBOKWAP-LCGIIJARSA-N 2 0 333.432 3.032 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594735641 459146850 /nfs/dbraw/zinc/14/68/50/459146850.db2.gz MBPWUTSZYZGFFN-GINYUPMKSA-N 2 0 329.444 3.320 20 5 EGBDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595027129 459220463 /nfs/dbraw/zinc/22/04/63/459220463.db2.gz PZTVNCDXVZXCCZ-AWEZNQCLSA-N 2 0 335.448 3.376 20 5 EGBDRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000578643112 459236502 /nfs/dbraw/zinc/23/65/02/459236502.db2.gz NOVNTGLJEJMDBG-IIDMSEBBSA-N 2 0 347.459 3.061 20 5 EGBDRP C[NH+](C)CC1CC[NH+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602438054 459936974 /nfs/dbraw/zinc/93/69/74/459936974.db2.gz BLGJUBVDCOGHLV-UHFFFAOYSA-N 2 0 345.365 3.387 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593736240 459967181 /nfs/dbraw/zinc/96/71/81/459967181.db2.gz KHQKOXUBOXQTHN-YIOZNXECSA-N 2 0 347.459 3.183 20 5 EGBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602847292 460158263 /nfs/dbraw/zinc/15/82/63/460158263.db2.gz VTLRGXMWIIOLAC-OAHLLOKOSA-N 2 0 326.400 3.263 20 5 EGBDRP Cc1cc(N2CCC([NH2+]CC3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000262274941 1296624736 /nfs/dbraw/zinc/62/47/36/1296624736.db2.gz SXSOLMNFLQXPEZ-UHFFFAOYSA-N 2 0 340.427 3.420 20 5 EGBDRP C[C@@H]([NH2+]CCCC[NH+]1CCC(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525444 1305963670 /nfs/dbraw/zinc/96/36/70/1305963670.db2.gz DERKRTBMROGYCQ-OAHLLOKOSA-N 2 0 334.464 3.340 20 5 EGBDRP C[NH+](C)C1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000817416101 1319354645 /nfs/dbraw/zinc/35/46/45/1319354645.db2.gz ISSGCTHDQOPPPT-UHFFFAOYSA-N 2 0 346.475 3.026 20 5 EGBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(N(C)C)ccn1 ZINC000922482837 1322539246 /nfs/dbraw/zinc/53/92/46/1322539246.db2.gz NHPAIIMTPFMVKH-NTEUORMPSA-N 2 0 326.400 3.249 20 5 EGBDRP CC(C)C[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866227231 1330080638 /nfs/dbraw/zinc/08/06/38/1330080638.db2.gz XBYHNYVETQXKGH-CQSZACIVSA-N 2 0 337.439 3.375 20 5 EGBDRP CC[NH+]1CCC(CC[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866273408 1330088955 /nfs/dbraw/zinc/08/89/55/1330088955.db2.gz LQFAUUDFFSEJFA-CQSZACIVSA-N 2 0 337.439 3.377 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000870 1384084410 /nfs/dbraw/zinc/08/44/10/1384084410.db2.gz YZEXOACFLYXCER-WNHJNPCNSA-N 2 0 349.450 3.343 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC001169037685 1384097015 /nfs/dbraw/zinc/09/70/15/1384097015.db2.gz SREDBFUIGPTNBB-AQNXPRMDSA-N 2 0 343.471 3.030 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001170308132 1384287598 /nfs/dbraw/zinc/28/75/98/1384287598.db2.gz KUSMPXAIOCFMHM-HNNXBMFYSA-N 2 0 349.475 3.244 20 5 EGBDRP NCC[N@H+](Cc1ccccc1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895195 1384873010 /nfs/dbraw/zinc/87/30/10/1384873010.db2.gz ATLDGFQGNQTFFS-IBGZPJMESA-N 2 0 339.439 3.303 20 5 EGBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900021 1384874311 /nfs/dbraw/zinc/87/43/11/1384874311.db2.gz RHFOSXHWUVOMFF-QAPCUYQASA-N 2 0 331.460 3.164 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423275635 309393492 /nfs/dbraw/zinc/39/34/92/309393492.db2.gz MARUHEHAPUTAHW-SPUZQDLCSA-N 2 0 331.460 3.413 20 5 EGBDRP C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[NH+]1CCCC1 ZINC000165271869 454896827 /nfs/dbraw/zinc/89/68/27/454896827.db2.gz WRUHSBDFZNXZDS-QAPCUYQASA-N 2 0 331.460 3.237 20 5 EGBDRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000268844445 455715634 /nfs/dbraw/zinc/71/56/34/455715634.db2.gz BJMHNYLQBLEGOM-RBUKOAKNSA-N 2 0 349.475 3.263 20 5 EGBDRP Cc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302190992 456313018 /nfs/dbraw/zinc/31/30/18/456313018.db2.gz QXPQUGZABWOYOB-CQSZACIVSA-N 2 0 328.416 3.229 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357087365 457315687 /nfs/dbraw/zinc/31/56/87/457315687.db2.gz NHGKKFRQXGAFQB-INIZCTEOSA-N 2 0 347.459 3.204 20 5 EGBDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000435377362 458127081 /nfs/dbraw/zinc/12/70/81/458127081.db2.gz ARJHNTSVZKTHGH-WFASDCNBSA-N 2 0 331.441 3.492 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435392107 458136349 /nfs/dbraw/zinc/13/63/49/458136349.db2.gz GAQKAFAJGYPOFV-ZDUSSCGKSA-N 2 0 345.399 3.034 20 5 EGBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423527044 458452790 /nfs/dbraw/zinc/45/27/90/458452790.db2.gz LYKDCHQMZMJMFI-UHCBGPFTSA-N 2 0 343.471 3.269 20 5 EGBDRP C[NH+](C)Cc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000566689165 458984777 /nfs/dbraw/zinc/98/47/77/458984777.db2.gz OYCVGNWCRVRPPS-SFHVURJKSA-N 2 0 325.412 3.434 20 5 EGBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000592476368 459610169 /nfs/dbraw/zinc/61/01/69/459610169.db2.gz SAZILMZUOBJWDO-UHFFFAOYSA-N 2 0 347.459 3.218 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC[NH2+]CC1 ZINC000593324494 459843568 /nfs/dbraw/zinc/84/35/68/459843568.db2.gz WQJIZLHJYWJXFA-HNNXBMFYSA-N 2 0 337.489 3.445 20 5 EGBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609133601 459908191 /nfs/dbraw/zinc/90/81/91/459908191.db2.gz ZDTMLCHNEKTWCL-UHFFFAOYSA-N 2 0 335.448 3.156 20 5 EGBDRP CCC[C@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186583176 528233678 /nfs/dbraw/zinc/23/36/78/528233678.db2.gz PZQPQPHOOPONRN-LPHOPBHVSA-N 2 0 348.491 3.052 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000873264170 1297397166 /nfs/dbraw/zinc/39/71/66/1297397166.db2.gz OQBVRJPNPQVCDG-BVPBIZIASA-N 2 0 329.444 3.036 20 5 EGBDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000903793980 1317736878 /nfs/dbraw/zinc/73/68/78/1317736878.db2.gz LYGBKYUCUCXUSW-UHFFFAOYSA-N 2 0 343.402 3.226 20 5 EGBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)c1 ZINC000819142949 1319647288 /nfs/dbraw/zinc/64/72/88/1319647288.db2.gz UHVAHCHXPNCBBB-FAFZWHIHSA-N 2 0 347.459 3.015 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001168990420 1384080380 /nfs/dbraw/zinc/08/03/80/1384080380.db2.gz CNFXEDNDJHQHEW-RTBURBONSA-N 2 0 337.508 3.314 20 5 EGBDRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172913268 1384876812 /nfs/dbraw/zinc/87/68/12/1384876812.db2.gz QKSWKCNEMSPSIE-CEXWTWQISA-N 2 0 343.471 3.116 20 5 EGBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC[NH+](CC2CCC2)CC1 ZINC001173221852 1384938005 /nfs/dbraw/zinc/93/80/05/1384938005.db2.gz QMJCGEGSDFINIU-OAHLLOKOSA-N 2 0 331.460 3.380 20 5 EGBDRP Cc1cccc(NC[C@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC001340938627 1390408964 /nfs/dbraw/zinc/40/89/64/1390408964.db2.gz AINBVRGTCLHVHT-QGZVFWFLSA-N 2 0 326.400 3.375 20 5 EGBDRP CSC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000353217109 165676945 /nfs/dbraw/zinc/67/69/45/165676945.db2.gz YMTKBCZLAUFWAC-ALCCZGGFSA-N 2 0 335.473 3.025 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)cs2)c1 ZINC000414969098 309112190 /nfs/dbraw/zinc/11/21/90/309112190.db2.gz IRLMXONFDDNOEE-AWEZNQCLSA-N 2 0 346.456 3.340 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423264412 309393050 /nfs/dbraw/zinc/39/30/50/309393050.db2.gz YRVKHKGCPCQYFX-GJZGRUSLSA-N 2 0 337.489 3.445 20 5 EGBDRP C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000089513332 454158450 /nfs/dbraw/zinc/15/84/50/454158450.db2.gz VEHAPJMFGJJWOY-OAHLLOKOSA-N 2 0 343.427 3.386 20 5 EGBDRP CC[NH+](CC)CCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000075007512 454673463 /nfs/dbraw/zinc/67/34/63/454673463.db2.gz GINAQQRDMLMTCA-UHFFFAOYSA-N 2 0 349.475 3.226 20 5 EGBDRP C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1[NH3+] ZINC000261686176 455927139 /nfs/dbraw/zinc/92/71/39/455927139.db2.gz AQYUMHLPGATVFN-BONVTDFDSA-N 2 0 335.791 3.287 20 5 EGBDRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1[N+](=O)[O-] ZINC000261826196 455955109 /nfs/dbraw/zinc/95/51/09/455955109.db2.gz YHRNFFRGCNCANL-MSOLQXFVSA-N 2 0 325.412 3.078 20 5 EGBDRP CCC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282429249 456509761 /nfs/dbraw/zinc/50/97/61/456509761.db2.gz TURNLINXMNBXQH-GOSISDBHSA-N 2 0 348.491 3.052 20 5 EGBDRP CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC[NH+](C)CC1 ZINC000353189861 456549359 /nfs/dbraw/zinc/54/93/59/456549359.db2.gz NPXJSFGNSDMTCS-UHFFFAOYSA-N 2 0 343.880 3.165 20 5 EGBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000347332419 457357548 /nfs/dbraw/zinc/35/75/48/457357548.db2.gz GBKYSAJGHDPOLO-SSZFMOIBSA-N 2 0 347.459 3.041 20 5 EGBDRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377189942 458485474 /nfs/dbraw/zinc/48/54/74/458485474.db2.gz SDHWPBLWTOXYNT-CYBMUJFWSA-N 2 0 334.807 3.361 20 5 EGBDRP C[N@H+](CCCC[NH+]1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000880517191 1301145642 /nfs/dbraw/zinc/14/56/42/1301145642.db2.gz LHYNTUMWELDSDO-UHFFFAOYSA-N 2 0 346.431 3.434 20 5 EGBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262007 1330087024 /nfs/dbraw/zinc/08/70/24/1330087024.db2.gz ZBVHAYIFKNUXIZ-GJZGRUSLSA-N 2 0 337.439 3.375 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997731 1384082933 /nfs/dbraw/zinc/08/29/33/1384082933.db2.gz FGAOFLODUARSPD-DSLXNQLJSA-N 2 0 349.450 3.343 20 5 EGBDRP C[NH+]1CCC(CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172895539 1384873663 /nfs/dbraw/zinc/87/36/63/1384873663.db2.gz FFBZHGINWJQFOP-GOSISDBHSA-N 2 0 331.460 3.164 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CC2 ZINC001172905010 1384875372 /nfs/dbraw/zinc/87/53/72/1384875372.db2.gz POKFFTWHOGZDJE-GOSISDBHSA-N 2 0 343.471 3.306 20 5 EGBDRP CC(C)C[NH+]1CCC(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173220895 1384938372 /nfs/dbraw/zinc/93/83/72/1384938372.db2.gz HVNLMAPTQVJNSP-INIZCTEOSA-N 2 0 333.476 3.483 20 5 EGBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC001173221912 1384938591 /nfs/dbraw/zinc/93/85/91/1384938591.db2.gz QXNGMTDLGPVQNB-HNNXBMFYSA-N 2 0 340.427 3.179 20 5 EGBDRP COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157258319 206124949 /nfs/dbraw/zinc/12/49/49/206124949.db2.gz ZILDHGHCLTZCAR-INIZCTEOSA-N 2 0 333.432 3.054 20 5 EGBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@@H]21 ZINC000346822095 156152226 /nfs/dbraw/zinc/15/22/26/156152226.db2.gz FDUPIZSKTFGOKH-XOKHGSTOSA-N 2 0 341.411 3.414 20 5 EGBDRP CCC[C@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423386806 309398129 /nfs/dbraw/zinc/39/81/29/309398129.db2.gz JQDLBGVXXMHNLF-KRWDZBQOSA-N 2 0 335.448 3.042 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423543995 309405797 /nfs/dbraw/zinc/40/57/97/309405797.db2.gz NSLIUWSHBLZFQH-QKPAOTATSA-N 2 0 349.500 3.443 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000515236039 312272780 /nfs/dbraw/zinc/27/27/80/312272780.db2.gz STQIAMNCUPQEOH-CYBMUJFWSA-N 2 0 329.400 3.303 20 5 EGBDRP CC[NH+](CC)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000047973132 454426576 /nfs/dbraw/zinc/42/65/76/454426576.db2.gz ATJQUEGAGBUKFW-UHFFFAOYSA-N 2 0 335.448 3.027 20 5 EGBDRP C[N@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000271873357 455794065 /nfs/dbraw/zinc/79/40/65/455794065.db2.gz NKBNYZCSAKTSNC-AEFFLSMTSA-N 2 0 329.444 3.158 20 5 EGBDRP C[NH+]1CCC(C)(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000272562444 455994497 /nfs/dbraw/zinc/99/44/97/455994497.db2.gz NWBJNQAHLOKAMM-QGZVFWFLSA-N 2 0 331.460 3.237 20 5 EGBDRP CC(C)c1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000346694931 457115684 /nfs/dbraw/zinc/11/56/84/457115684.db2.gz XJJAINVCOHKVSA-UHFFFAOYSA-N 2 0 335.448 3.048 20 5 EGBDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000349979898 457131865 /nfs/dbraw/zinc/13/18/65/457131865.db2.gz XMHHVHJSQYBDRP-UHFFFAOYSA-N 2 0 349.475 3.226 20 5 EGBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000347332416 457357215 /nfs/dbraw/zinc/35/72/15/457357215.db2.gz GBKYSAJGHDPOLO-DTQAZKPQSA-N 2 0 347.459 3.041 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591281864 459347167 /nfs/dbraw/zinc/34/71/67/459347167.db2.gz PYAUHVKRYBDISL-YXJHDRRASA-N 2 0 329.444 3.038 20 5 EGBDRP Cc1c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cccc1[N+](=O)[O-] ZINC000903794012 1317736918 /nfs/dbraw/zinc/73/69/18/1317736918.db2.gz MXMYUDKLCYIDMZ-UHFFFAOYSA-N 2 0 339.439 3.396 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000849349588 1322115480 /nfs/dbraw/zinc/11/54/80/1322115480.db2.gz DMSMGJBSYIXSNK-AWEZNQCLSA-N 2 0 337.851 3.460 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001328491091 1388761923 /nfs/dbraw/zinc/76/19/23/1388761923.db2.gz COOGZMZSCOUJDX-UHFFFAOYSA-N 2 0 347.459 3.348 20 5 EGBDRP C[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169022544 1384092463 /nfs/dbraw/zinc/09/24/63/1384092463.db2.gz CSWAZHYFUUMAPA-MJGOQNOKSA-N 2 0 331.460 3.028 20 5 EGBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccc(C[NH+](C)C)cc1 ZINC001173232168 1384941573 /nfs/dbraw/zinc/94/15/73/1384941573.db2.gz DGDQHHDAACDAQR-INIZCTEOSA-N 2 0 341.455 3.420 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]12 ZINC000346852153 156164752 /nfs/dbraw/zinc/16/47/52/156164752.db2.gz WKFMKWYTOXHFMW-XOKHGSTOSA-N 2 0 327.384 3.024 20 5 EGBDRP Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000131258087 162395758 /nfs/dbraw/zinc/39/57/58/162395758.db2.gz QPXIBGCMGRMTAT-CYBMUJFWSA-N 2 0 348.834 3.436 20 5 EGBDRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344162850 164117309 /nfs/dbraw/zinc/11/73/09/164117309.db2.gz ZIRQDKOCVRFGLR-KRWDZBQOSA-N 2 0 348.491 3.005 20 5 EGBDRP CC1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]CC1 ZINC000414906425 309108563 /nfs/dbraw/zinc/10/85/63/309108563.db2.gz PNJHSAUACBPRSM-UHFFFAOYSA-N 2 0 329.400 3.334 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000415008293 309114126 /nfs/dbraw/zinc/11/41/26/309114126.db2.gz SFZTVOHYOMIRBW-IDCNUPLLSA-N 2 0 331.460 3.413 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415012815 309114281 /nfs/dbraw/zinc/11/42/81/309114281.db2.gz XOCCGBBILHKGAI-GXTWGEPZSA-N 2 0 346.456 3.325 20 5 EGBDRP O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000415012871 309114288 /nfs/dbraw/zinc/11/42/88/309114288.db2.gz XWMGIQGZGLENFZ-QFBILLFUSA-N 2 0 343.402 3.217 20 5 EGBDRP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000415025011 309115076 /nfs/dbraw/zinc/11/50/76/309115076.db2.gz OSZZTRAUAZCPQD-HAQNSBGRSA-N 2 0 343.374 3.051 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000423395948 309398549 /nfs/dbraw/zinc/39/85/49/309398549.db2.gz SBAFGFPOFFVXHY-CYBMUJFWSA-N 2 0 341.411 3.448 20 5 EGBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000449101610 310037255 /nfs/dbraw/zinc/03/72/55/310037255.db2.gz FYYISUNYANEUIZ-BRWVUGGUSA-N 2 0 349.475 3.005 20 5 EGBDRP CC[NH+](CC)CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056494175 454061762 /nfs/dbraw/zinc/06/17/62/454061762.db2.gz UDTZFOFYMYZUEB-UHFFFAOYSA-N 2 0 349.475 3.418 20 5 EGBDRP C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000089513331 454158210 /nfs/dbraw/zinc/15/82/10/454158210.db2.gz VEHAPJMFGJJWOY-HNNXBMFYSA-N 2 0 343.427 3.386 20 5 EGBDRP Cc1c([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)cccc1[N+](=O)[O-] ZINC000152778514 454724815 /nfs/dbraw/zinc/72/48/15/454724815.db2.gz KOGIMPWMLYIQSC-AWEZNQCLSA-N 2 0 328.416 3.329 20 5 EGBDRP CCC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155664493 455028701 /nfs/dbraw/zinc/02/87/01/455028701.db2.gz QNUXLMBBRGYVHH-APWZRJJASA-N 2 0 348.491 3.052 20 5 EGBDRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000261751366 455940557 /nfs/dbraw/zinc/94/05/57/455940557.db2.gz QFSLWHUZLPCEMQ-QGZVFWFLSA-N 2 0 331.441 3.494 20 5 EGBDRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000261751362 455941076 /nfs/dbraw/zinc/94/10/76/455941076.db2.gz QFSLWHUZLPCEMQ-KRWDZBQOSA-N 2 0 331.441 3.494 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272536554 455986331 /nfs/dbraw/zinc/98/63/31/455986331.db2.gz KAOMAUAFMAHZAP-CQSZACIVSA-N 2 0 335.448 3.376 20 5 EGBDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000435377360 458126645 /nfs/dbraw/zinc/12/66/45/458126645.db2.gz ARJHNTSVZKTHGH-IUODEOHRSA-N 2 0 331.441 3.492 20 5 EGBDRP C[C@H](CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447607375 458321693 /nfs/dbraw/zinc/32/16/93/458321693.db2.gz RTKSIVXQITXMDO-IKGGRYGDSA-N 2 0 349.479 3.129 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000594737207 459146492 /nfs/dbraw/zinc/14/64/92/459146492.db2.gz ZCEOCJQGMJKXPI-AWEZNQCLSA-N 2 0 337.851 3.460 20 5 EGBDRP CC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@@H]1[NH3+] ZINC000592427554 459598786 /nfs/dbraw/zinc/59/87/86/459598786.db2.gz BTHHOUODAFAISU-GUYCJALGSA-N 2 0 329.400 3.414 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592433674 459600300 /nfs/dbraw/zinc/60/03/00/459600300.db2.gz PEXDCNMOCBTFAM-JKSUJKDBSA-N 2 0 347.459 3.205 20 5 EGBDRP CC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000584564738 459768274 /nfs/dbraw/zinc/76/82/74/459768274.db2.gz PQVRCRAXTWJCOV-GOSISDBHSA-N 2 0 331.460 3.237 20 5 EGBDRP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593314311 459837977 /nfs/dbraw/zinc/83/79/77/459837977.db2.gz CVVYXSOYFOIHCU-CYBMUJFWSA-N 2 0 331.391 3.304 20 5 EGBDRP O=[N+]([O-])c1ccc2oc(C[NH2+]CCCCC[NH+]3CCCCC3)nc2c1 ZINC000602536982 459988282 /nfs/dbraw/zinc/98/82/82/459988282.db2.gz LHUANOWKFVXSRD-UHFFFAOYSA-N 2 0 346.431 3.482 20 5 EGBDRP C[C@@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000873220117 1297361853 /nfs/dbraw/zinc/36/18/53/1297361853.db2.gz JWAFOMSNVNROQE-KYJSFNMBSA-N 2 0 331.460 3.284 20 5 EGBDRP [NH3+]C[C@@]1(F)CCC[N@H+](Cc2ccc3ccc4cccnc4c3n2)CC1 ZINC001205579158 1370798790 /nfs/dbraw/zinc/79/87/90/1370798790.db2.gz KWZQREKQXYREHI-HXUWFJFHSA-N 2 0 338.430 3.436 20 5 EGBDRP CCCC[N@H+](C)CCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170297717 1384284999 /nfs/dbraw/zinc/28/49/99/1384284999.db2.gz QVSVUCYTDCVUBK-OAHLLOKOSA-N 2 0 337.464 3.246 20 5 EGBDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172898161 1384873958 /nfs/dbraw/zinc/87/39/58/1384873958.db2.gz GYOATCPZAKNYHF-ZJPYXAASSA-N 2 0 329.444 3.057 20 5 EGBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172904020 1384875052 /nfs/dbraw/zinc/87/50/52/1384875052.db2.gz VEDOKFFWDHEDLD-KZNAEPCWSA-N 2 0 331.460 3.305 20 5 EGBDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173359823 206918437 /nfs/dbraw/zinc/91/84/37/206918437.db2.gz SUAGQLDGADRDOI-XHSDSOJGSA-N 2 0 335.448 3.135 20 5 EGBDRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294297722 308208164 /nfs/dbraw/zinc/20/81/64/308208164.db2.gz NBYCUINBDDTDRK-DZKIICNBSA-N 2 0 346.475 3.481 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420390700 309285840 /nfs/dbraw/zinc/28/58/40/309285840.db2.gz ZRJLXMCXZFHPPN-KYNGSXCRSA-N 2 0 347.459 3.183 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420398364 309286269 /nfs/dbraw/zinc/28/62/69/309286269.db2.gz YLSRRLSMBOBBDG-GMBSWORKSA-N 2 0 347.459 3.183 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423218631 309390967 /nfs/dbraw/zinc/39/09/67/309390967.db2.gz SDGXKYCVZGZDLA-QLFBSQMISA-N 2 0 337.489 3.443 20 5 EGBDRP [NH3+]CC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC1 ZINC000435397324 309731843 /nfs/dbraw/zinc/73/18/43/309731843.db2.gz FRIFIIWHWDMGDR-UHFFFAOYSA-N 2 0 331.441 3.494 20 5 EGBDRP CCC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154281021 454881140 /nfs/dbraw/zinc/88/11/40/454881140.db2.gz OBDRYNDYGYYJIH-LJQANCHMSA-N 2 0 348.491 3.053 20 5 EGBDRP CCC[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000128431792 455055944 /nfs/dbraw/zinc/05/59/44/455055944.db2.gz CVPCDHJZAWUAPQ-IBGZPJMESA-N 2 0 348.491 3.053 20 5 EGBDRP Cc1cc(NC2CC[NH+](C3CC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272808403 456075676 /nfs/dbraw/zinc/07/56/76/456075676.db2.gz GIRJPAGVVMIWAD-UHFFFAOYSA-N 2 0 326.400 3.490 20 5 EGBDRP CC(C)[NH+]1CCC([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000263755283 456213519 /nfs/dbraw/zinc/21/35/19/456213519.db2.gz TXXJYIKPOYVNKR-UHFFFAOYSA-N 2 0 335.448 3.168 20 5 EGBDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435373699 458124862 /nfs/dbraw/zinc/12/48/62/458124862.db2.gz OCQDKMOWLQFUAC-OLZOCXBDSA-N 2 0 331.441 3.492 20 5 EGBDRP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@@H]1[NH3+] ZINC000435377359 458126521 /nfs/dbraw/zinc/12/65/21/458126521.db2.gz ARJHNTSVZKTHGH-DOMZBBRYSA-N 2 0 331.441 3.492 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000459471768 458383572 /nfs/dbraw/zinc/38/35/72/458383572.db2.gz BQIZQVSSYOHPBM-UHFFFAOYSA-N 2 0 346.818 3.402 20 5 EGBDRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000373105065 458398511 /nfs/dbraw/zinc/39/85/11/458398511.db2.gz ULXOVQQSAXDIJD-LBPRGKRZSA-N 2 0 334.807 3.361 20 5 EGBDRP COc1cc([N+](=O)[O-])ccc1CN1CCC(Nc2ccccn2)CC1 ZINC000559295932 459249482 /nfs/dbraw/zinc/24/94/82/459249482.db2.gz QTLXXYXTEXMLID-UHFFFAOYSA-N 2 0 342.399 3.075 20 5 EGBDRP O=[N+]([O-])c1ccc2oc(C[NH2+]CCCCC[NH+]3CCCC3)nc2c1 ZINC000602677078 460060409 /nfs/dbraw/zinc/06/04/09/460060409.db2.gz RTWAMYWTUZSKMM-UHFFFAOYSA-N 2 0 332.404 3.092 20 5 EGBDRP C[NH2+]CCC1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000261800061 1296603647 /nfs/dbraw/zinc/60/36/47/1296603647.db2.gz ZWCCKARNPFGBIE-UHFFFAOYSA-N 2 0 328.416 3.277 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264428 1297396516 /nfs/dbraw/zinc/39/65/16/1297396516.db2.gz PHDJKZRDOMNDDV-QWXYKEQDSA-N 2 0 343.471 3.426 20 5 EGBDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000903794234 1317737150 /nfs/dbraw/zinc/73/71/50/1317737150.db2.gz PVTWKAGQQAIUQZ-UHFFFAOYSA-N 2 0 343.402 3.226 20 5 EGBDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)CC1 ZINC000809756019 1317892011 /nfs/dbraw/zinc/89/20/11/1317892011.db2.gz ODEHVIWRDIYWCW-AWEZNQCLSA-N 2 0 337.851 3.412 20 5 EGBDRP [NH3+]CCc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000817950623 1319475334 /nfs/dbraw/zinc/47/53/34/1319475334.db2.gz ZCHCZFGIDLQZCF-IBGZPJMESA-N 2 0 325.412 3.263 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997734 1384083008 /nfs/dbraw/zinc/08/30/08/1384083008.db2.gz FGAOFLODUARSPD-WNHJNPCNSA-N 2 0 349.450 3.343 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001497 1384083631 /nfs/dbraw/zinc/08/36/31/1384083631.db2.gz GMBHNRGNBDADFH-LMCOJAPRSA-N 2 0 345.487 3.180 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001498 1384083662 /nfs/dbraw/zinc/08/36/62/1384083662.db2.gz GMBHNRGNBDADFH-RSPOEFSDSA-N 2 0 345.487 3.180 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999919 1384084134 /nfs/dbraw/zinc/08/41/34/1384084134.db2.gz WGYPZXBQZYTZDG-VDHUWJSZSA-N 2 0 349.450 3.343 20 5 EGBDRP C[N@H+](C1CC1)C1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172918512 1384878402 /nfs/dbraw/zinc/87/84/02/1384878402.db2.gz BKBGPPUGHCTPSC-LJQANCHMSA-N 2 0 343.471 3.401 20 5 EGBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001173213651 1384937285 /nfs/dbraw/zinc/93/72/85/1384937285.db2.gz JJXHILAORQEVQW-HNNXBMFYSA-N 2 0 327.428 3.377 20 5 EGBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001173215313 1384937640 /nfs/dbraw/zinc/93/76/40/1384937640.db2.gz UTEFHMVKJMFHNW-IXDOHACOSA-N 2 0 333.476 3.483 20 5 EGBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001173220901 1384938303 /nfs/dbraw/zinc/93/83/03/1384938303.db2.gz HXQPBRGNSTULCD-HNNXBMFYSA-N 2 0 331.460 3.380 20 5 EGBDRP Cc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000262124528 274703639 /nfs/dbraw/zinc/70/36/39/274703639.db2.gz CHWHTTVXFZONSL-KRWDZBQOSA-N 2 0 340.427 3.420 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C[C@H]12 ZINC000414669468 309094652 /nfs/dbraw/zinc/09/46/52/309094652.db2.gz KOASZKSHRQENJV-RRQGHBQHSA-N 2 0 343.452 3.492 20 5 EGBDRP CN(c1ccccc1)c1ccc(CN[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414874794 309106705 /nfs/dbraw/zinc/10/67/05/309106705.db2.gz ZFTURGNUSSKSFI-INIZCTEOSA-N 2 0 340.427 3.204 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420334178 309282744 /nfs/dbraw/zinc/28/27/44/309282744.db2.gz ITPGYCNGOMYITN-SFHVURJKSA-N 2 0 347.459 3.346 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420398369 309286261 /nfs/dbraw/zinc/28/62/61/309286261.db2.gz YLSRRLSMBOBBDG-ZSZQSSIHSA-N 2 0 347.459 3.183 20 5 EGBDRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043560 309382571 /nfs/dbraw/zinc/38/25/71/309382571.db2.gz PAGYLDNMSFYCDY-SUMWQHHRSA-N 2 0 347.846 3.339 20 5 EGBDRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423047109 309382759 /nfs/dbraw/zinc/38/27/59/309382759.db2.gz UVCPBYFGQIAHED-NSHDSACASA-N 2 0 348.834 3.304 20 5 EGBDRP CCCC[N@H+](C)CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000052210261 454660524 /nfs/dbraw/zinc/66/05/24/454660524.db2.gz JLUUTHIHHHPMPR-UHFFFAOYSA-N 2 0 349.475 3.418 20 5 EGBDRP CCCn1ccnc1CCCN(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000191518291 455492829 /nfs/dbraw/zinc/49/28/29/455492829.db2.gz IQLSIJATKDYPDI-UHFFFAOYSA-N 2 0 334.395 3.405 20 5 EGBDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603610 456009877 /nfs/dbraw/zinc/00/98/77/456009877.db2.gz JJFXWXPFVPOYIG-TYNCELHUSA-N 2 0 325.840 3.109 20 5 EGBDRP CCC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282429255 456509536 /nfs/dbraw/zinc/50/95/36/456509536.db2.gz TURNLINXMNBXQH-SFHVURJKSA-N 2 0 348.491 3.052 20 5 EGBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354209185 457131125 /nfs/dbraw/zinc/13/11/25/457131125.db2.gz QKMLURYKTZASKX-RDJZCZTQSA-N 2 0 335.448 3.168 20 5 EGBDRP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CCC[NH2+]CC1 ZINC000435438992 458148631 /nfs/dbraw/zinc/14/86/31/458148631.db2.gz SHKWLTKQVYUVRO-OAHLLOKOSA-N 2 0 329.400 3.429 20 5 EGBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094026 459519034 /nfs/dbraw/zinc/51/90/34/459519034.db2.gz HBPFAERNHZBHAQ-MAUKXSAKSA-N 2 0 329.444 3.294 20 5 EGBDRP CC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1[NH3+] ZINC000592427669 459598832 /nfs/dbraw/zinc/59/88/32/459598832.db2.gz PASSTOGJLPUYQP-GUYCJALGSA-N 2 0 329.400 3.414 20 5 EGBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592433668 459600014 /nfs/dbraw/zinc/60/00/14/459600014.db2.gz OOAILWWNNBQFCW-UONOGXRCSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000849350555 1322117249 /nfs/dbraw/zinc/11/72/49/1322117249.db2.gz QGWQNSRVCDBCTQ-AWEZNQCLSA-N 2 0 337.851 3.460 20 5 EGBDRP C[N@H+](Cc1cc([N+](=O)[O-])ccc1Br)C1CCC([NH3+])CC1 ZINC000923295017 1322726909 /nfs/dbraw/zinc/72/69/09/1322726909.db2.gz TZVWRFYKZGXHOC-UHFFFAOYSA-N 2 0 342.237 3.059 20 5 EGBDRP [NH3+]CCC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925596687 1325227754 /nfs/dbraw/zinc/22/77/54/1325227754.db2.gz LEYLNMNCPWUXDO-GOSISDBHSA-N 2 0 329.400 3.043 20 5 EGBDRP CC[NH+]1CCC(CC[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866273407 1330088803 /nfs/dbraw/zinc/08/88/03/1330088803.db2.gz LQFAUUDFFSEJFA-AWEZNQCLSA-N 2 0 337.439 3.377 20 5 EGBDRP [NH3+]CCN(CC[NH3+])Cc1c2ccccc2c2cc3ccccc3oc1-2 ZINC001235877707 1376908460 /nfs/dbraw/zinc/90/84/60/1376908460.db2.gz POUQDXRFEGPKBQ-UHFFFAOYSA-N 2 0 333.435 3.410 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001496 1384084008 /nfs/dbraw/zinc/08/40/08/1384084008.db2.gz GMBHNRGNBDADFH-GTAWCEEGSA-N 2 0 345.487 3.180 20 5 EGBDRP C[NH+](C)CC1CC[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910866 1384876147 /nfs/dbraw/zinc/87/61/47/1384876147.db2.gz PNLDUWYRXYGZPD-GOSISDBHSA-N 2 0 331.460 3.116 20 5 EGBDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414811783 309103092 /nfs/dbraw/zinc/10/30/92/309103092.db2.gz WNDMGXMGAMPRLG-PBHICJAKSA-N 2 0 329.400 3.462 20 5 EGBDRP Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302154259 308731210 /nfs/dbraw/zinc/73/12/10/308731210.db2.gz IMDSXBUAQWCRQH-UHFFFAOYSA-N 2 0 349.394 3.173 20 5 EGBDRP Cc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302208007 308733477 /nfs/dbraw/zinc/73/34/77/308733477.db2.gz XOUFGLUFERFEOJ-OAHLLOKOSA-N 2 0 326.400 3.126 20 5 EGBDRP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[NH3+])cc1[N+](=O)[O-] ZINC000414909460 309108665 /nfs/dbraw/zinc/10/86/65/309108665.db2.gz RGHKMLCFLFEGEQ-UHFFFAOYSA-N 2 0 328.416 3.191 20 5 EGBDRP CC1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]CC1 ZINC000414911054 309108720 /nfs/dbraw/zinc/10/87/20/309108720.db2.gz TVLSKOQICAFHAC-UHFFFAOYSA-N 2 0 329.400 3.334 20 5 EGBDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212950 310044948 /nfs/dbraw/zinc/04/49/48/310044948.db2.gz UMSMKTSIXNDRNB-DLBZAZTESA-N 2 0 333.476 3.483 20 5 EGBDRP Cc1ccc([C@@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000162855003 454804656 /nfs/dbraw/zinc/80/46/56/454804656.db2.gz OYSIRHURNKFESV-BRWVUGGUSA-N 2 0 349.475 3.443 20 5 EGBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000161013542 455524338 /nfs/dbraw/zinc/52/43/38/455524338.db2.gz GZPIOFKOJAAJIY-KSZLIROESA-N 2 0 331.460 3.378 20 5 EGBDRP CCC[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000327328842 456705566 /nfs/dbraw/zinc/70/55/66/456705566.db2.gz XQFMPAMLWWYRAI-GOSISDBHSA-N 2 0 348.491 3.052 20 5 EGBDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000347113283 457235764 /nfs/dbraw/zinc/23/57/64/457235764.db2.gz ROMXFZWEWSIXBP-ZDUSSCGKSA-N 2 0 329.400 3.414 20 5 EGBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433296680 457801829 /nfs/dbraw/zinc/80/18/29/457801829.db2.gz SYSXTQDWIXSSEF-CRAIPNDOSA-N 2 0 349.475 3.264 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541271 458455146 /nfs/dbraw/zinc/45/51/46/458455146.db2.gz RTISHVBCJXWWLB-FUHWJXTLSA-N 2 0 329.444 3.205 20 5 EGBDRP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595027130 459220738 /nfs/dbraw/zinc/22/07/38/459220738.db2.gz PZTVNCDXVZXCCZ-CQSZACIVSA-N 2 0 335.448 3.376 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058801 459503609 /nfs/dbraw/zinc/50/36/09/459503609.db2.gz JLXBEVNPKOLIDR-KNYPUDEUSA-N 2 0 329.444 3.320 20 5 EGBDRP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492590 459613635 /nfs/dbraw/zinc/61/36/35/459613635.db2.gz BGIIZXHSFZDHPD-KGLIPLIRSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])c1cccc([C@@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000574307656 459805106 /nfs/dbraw/zinc/80/51/06/459805106.db2.gz YSKFYAAOHCDRTO-IBGZPJMESA-N 2 0 325.412 3.273 20 5 EGBDRP CC[N@H+](CCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1)CC1CC1 ZINC000886102465 1303355846 /nfs/dbraw/zinc/35/58/46/1303355846.db2.gz IAEOQEBGXFEAGE-UHFFFAOYSA-N 2 0 346.475 3.324 20 5 EGBDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000903794091 1317735988 /nfs/dbraw/zinc/73/59/88/1317735988.db2.gz NBRQNJJZENTWGK-UHFFFAOYSA-N 2 0 325.412 3.087 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001168961622 1384071331 /nfs/dbraw/zinc/07/13/31/1384071331.db2.gz JEWSWXIUMXEFRN-LTFPLMDUSA-N 2 0 343.471 3.217 20 5 EGBDRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040361 1384098423 /nfs/dbraw/zinc/09/84/23/1384098423.db2.gz ZJBSHDLCFGHDPT-WOJBJXKFSA-N 2 0 345.487 3.276 20 5 EGBDRP CC1(C)C[C@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C[C@](C)(C[NH3+])C1 ZINC001169141949 1384112873 /nfs/dbraw/zinc/11/28/73/1384112873.db2.gz DYARZFUQCODACK-KSSFIOAISA-N 2 0 332.448 3.154 20 5 EGBDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001172898160 1384873815 /nfs/dbraw/zinc/87/38/15/1384873815.db2.gz GYOATCPZAKNYHF-FJIDUMEYSA-N 2 0 329.444 3.057 20 5 EGBDRP Cc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000262124529 274703763 /nfs/dbraw/zinc/70/37/63/274703763.db2.gz CHWHTTVXFZONSL-QGZVFWFLSA-N 2 0 340.427 3.420 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414922134 309109410 /nfs/dbraw/zinc/10/94/10/309109410.db2.gz GLSLDYVIPAKWFV-STQMWFEESA-N 2 0 345.399 3.223 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000415013261 309114297 /nfs/dbraw/zinc/11/42/97/309114297.db2.gz YJOYNKZHPOHRPF-QFBILLFUSA-N 2 0 343.402 3.217 20 5 EGBDRP C[C@@H]1CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1C[NH3+] ZINC000415126979 309122442 /nfs/dbraw/zinc/12/24/42/309122442.db2.gz MREUZMYRPOFKOS-HIFRSBDPSA-N 2 0 329.400 3.272 20 5 EGBDRP C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C[NH3+] ZINC000415131418 309122736 /nfs/dbraw/zinc/12/27/36/309122736.db2.gz SFIYNDXOKAUVPS-DZGCQCFKSA-N 2 0 329.400 3.272 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420322017 309282004 /nfs/dbraw/zinc/28/20/04/309282004.db2.gz DQPXWMJWFUEHGR-JKSUJKDBSA-N 2 0 347.459 3.204 20 5 EGBDRP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423041360 309382576 /nfs/dbraw/zinc/38/25/76/309382576.db2.gz IZAILAQOMYVUBD-OAGGEKHMSA-N 2 0 337.851 3.301 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423218633 309391114 /nfs/dbraw/zinc/39/11/14/309391114.db2.gz SDGXKYCVZGZDLA-RRFJBIMHSA-N 2 0 337.489 3.443 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423538661 309405631 /nfs/dbraw/zinc/40/56/31/309405631.db2.gz GULJLLLPRPFJID-HZZCBIDNSA-N 2 0 343.471 3.284 20 5 EGBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000449222966 310045780 /nfs/dbraw/zinc/04/57/80/310045780.db2.gz XJZNSAJAZUGMJB-HNNXBMFYSA-N 2 0 327.428 3.377 20 5 EGBDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490030515 311130301 /nfs/dbraw/zinc/13/03/01/311130301.db2.gz LVRNYVNYTPLMKS-FUHWJXTLSA-N 2 0 349.475 3.397 20 5 EGBDRP [NH3+]CCC1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000515657376 312293552 /nfs/dbraw/zinc/29/35/52/312293552.db2.gz UVVYOKIGVBVJRH-UHFFFAOYSA-N 2 0 329.400 3.416 20 5 EGBDRP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000311076014 456585742 /nfs/dbraw/zinc/58/57/42/456585742.db2.gz AOBRSEKRSHHBFU-LJQANCHMSA-N 2 0 339.439 3.249 20 5 EGBDRP CCOc1cc(CN(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276878752 456607790 /nfs/dbraw/zinc/60/77/90/456607790.db2.gz IPWMTYITSOBXOM-UHFFFAOYSA-N 2 0 335.448 3.298 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425935397 457656172 /nfs/dbraw/zinc/65/61/72/457656172.db2.gz DCVPLZFCQJRWCW-KGLIPLIRSA-N 2 0 325.478 3.253 20 5 EGBDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000495431167 458854923 /nfs/dbraw/zinc/85/49/23/458854923.db2.gz BBEQUAKWYCWIBD-SWLSCSKDSA-N 2 0 325.840 3.111 20 5 EGBDRP O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc2)c1 ZINC000591581247 459406414 /nfs/dbraw/zinc/40/64/14/459406414.db2.gz OWZIZVVHGPAMLT-RTBURBONSA-N 2 0 337.423 3.416 20 5 EGBDRP CC[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1[NH3+] ZINC000592427552 459598674 /nfs/dbraw/zinc/59/86/74/459598674.db2.gz BTHHOUODAFAISU-CXAGYDPISA-N 2 0 329.400 3.414 20 5 EGBDRP C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000602462941 459951194 /nfs/dbraw/zinc/95/11/94/459951194.db2.gz QAVROVUYQHGMNN-UHFFFAOYSA-N 2 0 345.365 3.387 20 5 EGBDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602512539 459976803 /nfs/dbraw/zinc/97/68/03/459976803.db2.gz CBJALVSZHGQKCG-AWEZNQCLSA-N 2 0 346.431 3.480 20 5 EGBDRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602604786 460019927 /nfs/dbraw/zinc/01/99/27/460019927.db2.gz HRTIRCVHMIPVCR-UHFFFAOYSA-N 2 0 345.365 3.435 20 5 EGBDRP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000618798351 460180087 /nfs/dbraw/zinc/18/00/87/460180087.db2.gz SDTJSEOHETYENT-NSHDSACASA-N 2 0 345.365 3.434 20 5 EGBDRP CCCC[N@H+](C)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000603856884 460349704 /nfs/dbraw/zinc/34/97/04/460349704.db2.gz AIJRVFWGSQHQRF-UHFFFAOYSA-N 2 0 349.475 3.418 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903127106 1317658995 /nfs/dbraw/zinc/65/89/95/1317658995.db2.gz VVVNIXBMVOCMGU-LQDVMPOASA-N 2 0 335.835 3.496 20 5 EGBDRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]2C1 ZINC001172913270 1384876571 /nfs/dbraw/zinc/87/65/71/1384876571.db2.gz QKSWKCNEMSPSIE-GUDVDZBRSA-N 2 0 343.471 3.116 20 5 EGBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C1=CCC[N@H+](C)C1 ZINC001175578227 1385337508 /nfs/dbraw/zinc/33/75/08/1385337508.db2.gz IWDCEUXZAFPTEJ-UHFFFAOYSA-N 2 0 348.450 3.431 20 5 EGBDRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000414998453 309113412 /nfs/dbraw/zinc/11/34/12/309113412.db2.gz QQOAEYHAEXIOAS-KBPBESRZSA-N 2 0 329.400 3.462 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423264413 309392934 /nfs/dbraw/zinc/39/29/34/309392934.db2.gz YRVKHKGCPCQYFX-HUUCEWRRSA-N 2 0 337.489 3.445 20 5 EGBDRP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(OCC[NH+](C)C)cc1 ZINC000089512201 454157588 /nfs/dbraw/zinc/15/75/88/454157588.db2.gz HOHFGGDEHOMYJO-HNNXBMFYSA-N 2 0 343.427 3.386 20 5 EGBDRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075007770 454673320 /nfs/dbraw/zinc/67/33/20/454673320.db2.gz ZASPOVUMLXJQPN-MRXNPFEDSA-N 2 0 349.475 3.479 20 5 EGBDRP C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185723447 455605817 /nfs/dbraw/zinc/60/58/17/455605817.db2.gz UPZFKNOMHIPFLB-JKSUJKDBSA-N 2 0 347.459 3.216 20 5 EGBDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506509 458300572 /nfs/dbraw/zinc/30/05/72/458300572.db2.gz CXYMHJRXORGIII-BRWVUGGUSA-N 2 0 349.479 3.129 20 5 EGBDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506512 458302013 /nfs/dbraw/zinc/30/20/13/458302013.db2.gz CXYMHJRXORGIII-ZACQAIPSSA-N 2 0 349.479 3.129 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000595001630 459211807 /nfs/dbraw/zinc/21/18/07/459211807.db2.gz YXTQZPZETQFHIY-UHFFFAOYSA-N 2 0 337.851 3.460 20 5 EGBDRP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000595052436 459229237 /nfs/dbraw/zinc/22/92/37/459229237.db2.gz WVLYWCBLSYLZEK-CYBMUJFWSA-N 2 0 333.432 3.128 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000534328441 459315875 /nfs/dbraw/zinc/31/58/75/459315875.db2.gz IRZURNGJVHOWGA-GJZGRUSLSA-N 2 0 337.489 3.397 20 5 EGBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000593316078 459838711 /nfs/dbraw/zinc/83/87/11/459838711.db2.gz QRIAGOGBMWJQND-KXBFYZLASA-N 2 0 341.411 3.416 20 5 EGBDRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153753050 528338045 /nfs/dbraw/zinc/33/80/45/528338045.db2.gz AUCFTNHLEZGYQB-IBGZPJMESA-N 2 0 349.475 3.072 20 5 EGBDRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160227683 529007951 /nfs/dbraw/zinc/00/79/51/529007951.db2.gz QLBXWFXXTDRMCA-LJQANCHMSA-N 2 0 348.491 3.052 20 5 EGBDRP CC[NH+](CC)CCCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886123142 1303363124 /nfs/dbraw/zinc/36/31/24/1303363124.db2.gz RXFUDJPMQBYDCV-UHFFFAOYSA-N 2 0 334.464 3.324 20 5 EGBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559754 1319014851 /nfs/dbraw/zinc/01/48/51/1319014851.db2.gz PFVOASKBXZMGHK-HUUCEWRRSA-N 2 0 334.464 3.482 20 5 EGBDRP C[C@H]([NH2+]CCCCC[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815578947 1319018898 /nfs/dbraw/zinc/01/88/98/1319018898.db2.gz AOPFTAFJARPZSB-HNNXBMFYSA-N 2 0 334.464 3.484 20 5 EGBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000866393435 1330106037 /nfs/dbraw/zinc/10/60/37/1330106037.db2.gz OEBAPHCGUBDWBN-HOCLYGCPSA-N 2 0 349.450 3.377 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccc(F)cc2)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000867 1384083981 /nfs/dbraw/zinc/08/39/81/1384083981.db2.gz YZEXOACFLYXCER-DSLXNQLJSA-N 2 0 349.450 3.343 20 5 EGBDRP C[C@@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293567003 308142408 /nfs/dbraw/zinc/14/24/08/308142408.db2.gz DGMRWYZUDAVWSN-CYBMUJFWSA-N 2 0 328.416 3.089 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cs2)c1 ZINC000414846699 309105232 /nfs/dbraw/zinc/10/52/32/309105232.db2.gz UXPGJIUTYPFFAP-CYBMUJFWSA-N 2 0 346.456 3.198 20 5 EGBDRP CN(c1ccccc1)c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000414874795 309106657 /nfs/dbraw/zinc/10/66/57/309106657.db2.gz ZFTURGNUSSKSFI-MRXNPFEDSA-N 2 0 340.427 3.204 20 5 EGBDRP C[C@H](CC[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414897288 309108101 /nfs/dbraw/zinc/10/81/01/309108101.db2.gz RBHPHRWAITVQCJ-CQSZACIVSA-N 2 0 328.416 3.190 20 5 EGBDRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422918935 309376279 /nfs/dbraw/zinc/37/62/79/309376279.db2.gz JAYORUUXUNJKTL-CQSZACIVSA-N 2 0 342.443 3.430 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000423418195 309399400 /nfs/dbraw/zinc/39/94/00/309399400.db2.gz GZYCMZOFFYRVCI-KKUMJFAQSA-N 2 0 335.448 3.409 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423543996 309405777 /nfs/dbraw/zinc/40/57/77/309405777.db2.gz NSLIUWSHBLZFQH-ZJIFWQFVSA-N 2 0 349.500 3.443 20 5 EGBDRP CSC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[NH+](C)CC1 ZINC000565804449 316371437 /nfs/dbraw/zinc/37/14/37/316371437.db2.gz VRHSRBOEGDNXGP-AWEZNQCLSA-N 2 0 337.489 3.381 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000579719034 325150678 /nfs/dbraw/zinc/15/06/78/325150678.db2.gz RGVOJRUPEQIOPY-HUUCEWRRSA-N 2 0 343.452 3.365 20 5 EGBDRP CCC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155664614 455028631 /nfs/dbraw/zinc/02/86/31/455028631.db2.gz QNUXLMBBRGYVHH-VQIMIIECSA-N 2 0 348.491 3.052 20 5 EGBDRP Cc1cc(N(C)CC2([NH+](C)C)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302487333 456349434 /nfs/dbraw/zinc/34/94/34/456349434.db2.gz IURYQOUFNHOTJX-UHFFFAOYSA-N 2 0 328.416 3.372 20 5 EGBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000340476521 456482713 /nfs/dbraw/zinc/48/27/13/456482713.db2.gz RGCCJLRQDGNEEC-DLBZAZTESA-N 2 0 349.479 3.131 20 5 EGBDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@H]1[NH3+] ZINC000435373292 458124615 /nfs/dbraw/zinc/12/46/15/458124615.db2.gz DGJZOMYZBXCHMR-BLLLJJGKSA-N 2 0 331.441 3.492 20 5 EGBDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC[C@H]1[NH3+] ZINC000435377361 458126892 /nfs/dbraw/zinc/12/68/92/458126892.db2.gz ARJHNTSVZKTHGH-SWLSCSKDSA-N 2 0 331.441 3.492 20 5 EGBDRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430572308 458463492 /nfs/dbraw/zinc/46/34/92/458463492.db2.gz FJWPZGBHOMEBNY-MRXNPFEDSA-N 2 0 346.431 3.098 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)o2)cc1 ZINC000430901832 458503138 /nfs/dbraw/zinc/50/31/38/458503138.db2.gz VXLCWQKYZVKEKV-UHFFFAOYSA-N 2 0 341.411 3.430 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433670 459599938 /nfs/dbraw/zinc/59/99/38/459599938.db2.gz PEXDCNMOCBTFAM-CVEARBPZSA-N 2 0 347.459 3.205 20 5 EGBDRP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492591 459612955 /nfs/dbraw/zinc/61/29/55/459612955.db2.gz BGIIZXHSFZDHPD-UONOGXRCSA-N 2 0 337.851 3.460 20 5 EGBDRP Cc1cc(N[C@H]2C[N@@H+](C)Cc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543047073 459619273 /nfs/dbraw/zinc/61/92/73/459619273.db2.gz PADZZCZYPSJDFC-FQEVSTJZSA-N 2 0 348.406 3.472 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873264426 1297396613 /nfs/dbraw/zinc/39/66/13/1297396613.db2.gz PHDJKZRDOMNDDV-FDMITFGQSA-N 2 0 343.471 3.426 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H](CC[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000904404738 1317843911 /nfs/dbraw/zinc/84/39/11/1317843911.db2.gz FHOAPUSBZSLSPX-CYBMUJFWSA-N 2 0 345.399 3.034 20 5 EGBDRP [NH3+]C[C@H]1C[N@H+](Cc2c3ccccc3c3cc4ccccc4oc2-3)C[C@@H]1O ZINC001206530346 1371084990 /nfs/dbraw/zinc/08/49/90/1371084990.db2.gz GGZLPTFPIWBHGD-YWZLYKJASA-N 2 0 346.430 3.442 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001169018929 1384091482 /nfs/dbraw/zinc/09/14/82/1384091482.db2.gz DQHRLVKTTZTHPR-FUHWJXTLSA-N 2 0 347.459 3.013 20 5 EGBDRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040358 1384097978 /nfs/dbraw/zinc/09/79/78/1384097978.db2.gz ZJBSHDLCFGHDPT-PMACEKPBSA-N 2 0 345.487 3.276 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170307592 1384287095 /nfs/dbraw/zinc/28/70/95/1384287095.db2.gz HWVSWCMQCWLLRE-CVEARBPZSA-N 2 0 349.475 3.389 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]CCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170317375 1384289301 /nfs/dbraw/zinc/28/93/01/1384289301.db2.gz GZGJUNUZHHGLRK-OAHLLOKOSA-N 2 0 349.475 3.246 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)CC2 ZINC001172912385 1384876380 /nfs/dbraw/zinc/87/63/80/1384876380.db2.gz NVPUVGLWWMAWQS-SFHVURJKSA-N 2 0 331.460 3.308 20 5 EGBDRP Cc1cc(N2CC[NH+](C(C)(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC001320121219 1386525998 /nfs/dbraw/zinc/52/59/98/1386525998.db2.gz IMJXIQSGPDOKCK-UHFFFAOYSA-N 2 0 328.416 3.372 20 5 EGBDRP Cc1cc(N(C)CC2CC[NH+](C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302186062 308732544 /nfs/dbraw/zinc/73/25/44/308732544.db2.gz PIFOZZYYKDMZHC-UHFFFAOYSA-N 2 0 328.416 3.229 20 5 EGBDRP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422916275 309375951 /nfs/dbraw/zinc/37/59/51/309375951.db2.gz DEPFLFCCRCYRQE-OTWHNJEPSA-N 2 0 331.460 3.428 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423349474 309396518 /nfs/dbraw/zinc/39/65/18/309396518.db2.gz VRQMOGMOHKNZLR-RHSMWYFYSA-N 2 0 337.489 3.445 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cn2c(n1)CCCC2 ZINC000152778044 454724530 /nfs/dbraw/zinc/72/45/30/454724530.db2.gz FOPXPDCZAVAHLF-AWEZNQCLSA-N 2 0 328.416 3.329 20 5 EGBDRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000347047972 457201839 /nfs/dbraw/zinc/20/18/39/457201839.db2.gz PGBHDIWFCUGIOD-CYBMUJFWSA-N 2 0 329.400 3.414 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058802 459503854 /nfs/dbraw/zinc/50/38/54/459503854.db2.gz JLXBEVNPKOLIDR-OPQSBORISA-N 2 0 329.444 3.320 20 5 EGBDRP [NH3+][C@]12CCC[C@H]1CN(Cc1ccc(-c3cccc([N+](=O)[O-])c3)o1)C2 ZINC000598717459 460004879 /nfs/dbraw/zinc/00/48/79/460004879.db2.gz FPNNDSOLBYFXSU-KSSFIOAISA-N 2 0 327.384 3.168 20 5 EGBDRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687348 460067314 /nfs/dbraw/zinc/06/73/14/460067314.db2.gz KEFXNBAHUHMLPE-LBPRGKRZSA-N 2 0 345.365 3.435 20 5 EGBDRP [NH3+]C[C@@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CCC1(F)F ZINC001205781724 1370867697 /nfs/dbraw/zinc/86/76/97/1370867697.db2.gz YFHULMUXDHKUOU-OAHLLOKOSA-N 2 0 342.393 3.199 20 5 EGBDRP [NH3+]CCN(CC[NH3+])Cc1c2ccccc2c(Cl)c2ccccc21 ZINC001235878358 1376908624 /nfs/dbraw/zinc/90/86/24/1376908624.db2.gz YEPMJALHTZXLEI-UHFFFAOYSA-N 2 0 327.859 3.366 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001169039158 1384097839 /nfs/dbraw/zinc/09/78/39/1384097839.db2.gz NTKQIZNDBYHOGU-RTBURBONSA-N 2 0 343.471 3.030 20 5 EGBDRP CC1(C)C[C@@H](Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C[C@@](C)(C[NH3+])C1 ZINC001169141951 1384112965 /nfs/dbraw/zinc/11/29/65/1384112965.db2.gz DYARZFUQCODACK-RDTXWAMCSA-N 2 0 332.448 3.154 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC001170315835 1384289085 /nfs/dbraw/zinc/28/90/85/1384289085.db2.gz YOCOJZFJOOBBCH-AWEZNQCLSA-N 2 0 347.459 3.141 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349127710 156361574 /nfs/dbraw/zinc/36/15/74/156361574.db2.gz JCDQWLGCBSFXNX-MRXNPFEDSA-N 2 0 347.459 3.157 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000414847229 309105381 /nfs/dbraw/zinc/10/53/81/309105381.db2.gz IHINJTCKBVPKPL-AWEZNQCLSA-N 2 0 329.400 3.334 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@@H](C)CCC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415022366 309114810 /nfs/dbraw/zinc/11/48/10/309114810.db2.gz LMHDMSRMVQFBIY-LBPRGKRZSA-N 2 0 333.388 3.080 20 5 EGBDRP C[NH+](C)C1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000421366785 309320841 /nfs/dbraw/zinc/32/08/41/309320841.db2.gz CTYVPMPVMGMZNY-UHFFFAOYSA-N 2 0 343.374 3.159 20 5 EGBDRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000581071179 325326975 /nfs/dbraw/zinc/32/69/75/325326975.db2.gz HMZLQKVEIFWMPB-ZDUSSCGKSA-N 2 0 331.441 3.494 20 5 EGBDRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173359856 455272952 /nfs/dbraw/zinc/27/29/52/455272952.db2.gz SUAGQLDGADRDOI-OAGGEKHMSA-N 2 0 335.448 3.135 20 5 EGBDRP C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OCC[NH+](C)C)c1 ZINC000089512270 454157541 /nfs/dbraw/zinc/15/75/41/454157541.db2.gz RXCGXRGZKPQBEB-OAHLLOKOSA-N 2 0 343.427 3.386 20 5 EGBDRP CCC[C@@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186583237 455799060 /nfs/dbraw/zinc/79/90/60/455799060.db2.gz PZQPQPHOOPONRN-VQIMIIECSA-N 2 0 348.491 3.052 20 5 EGBDRP Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326375079 456693058 /nfs/dbraw/zinc/69/30/58/456693058.db2.gz WJUWKBSZZOEOQR-ZDUSSCGKSA-N 2 0 326.400 3.348 20 5 EGBDRP Cc1cc(N2CCC(C[NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360945606 457452922 /nfs/dbraw/zinc/45/29/22/457452922.db2.gz FZXSCYBHYNCKBG-UHFFFAOYSA-N 2 0 328.416 3.229 20 5 EGBDRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435368841 458120788 /nfs/dbraw/zinc/12/07/88/458120788.db2.gz CESIZNXTLUBVFU-OLZOCXBDSA-N 2 0 331.441 3.492 20 5 EGBDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435368839 458121159 /nfs/dbraw/zinc/12/11/59/458121159.db2.gz CESIZNXTLUBVFU-CHWSQXEVSA-N 2 0 331.441 3.492 20 5 EGBDRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435399127 458137154 /nfs/dbraw/zinc/13/71/54/458137154.db2.gz VLKYIBLBAJCXCB-ZDUSSCGKSA-N 2 0 331.441 3.494 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541269 458454747 /nfs/dbraw/zinc/45/47/47/458454747.db2.gz RTISHVBCJXWWLB-AEFFLSMTSA-N 2 0 329.444 3.205 20 5 EGBDRP C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[NH+]1C ZINC000441330105 458920907 /nfs/dbraw/zinc/92/09/07/458920907.db2.gz LGGMIEYBCYJHAD-MRXNPFEDSA-N 2 0 335.448 3.170 20 5 EGBDRP CCc1ccc([C@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000873259094 1297393382 /nfs/dbraw/zinc/39/33/82/1297393382.db2.gz ZCXLTCMYZYXMRS-RVZJWNSFSA-N 2 0 329.400 3.167 20 5 EGBDRP CC(C)[NH+]1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000772948733 1303597545 /nfs/dbraw/zinc/59/75/45/1303597545.db2.gz LKHDVQSROOTSFF-UHFFFAOYSA-N 2 0 346.475 3.026 20 5 EGBDRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000859211893 1328947045 /nfs/dbraw/zinc/94/70/45/1328947045.db2.gz CBPRJQCWJGZRDB-UHFFFAOYSA-N 2 0 331.391 3.428 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000849349590 1322115628 /nfs/dbraw/zinc/11/56/28/1322115628.db2.gz DMSMGJBSYIXSNK-CQSZACIVSA-N 2 0 337.851 3.460 20 5 EGBDRP [NH3+]C[C@H]1CN(Cc2ccc3ccc4cccnc4c3n2)CCC1(F)F ZINC001205781723 1370868131 /nfs/dbraw/zinc/86/81/31/1370868131.db2.gz YFHULMUXDHKUOU-HNNXBMFYSA-N 2 0 342.393 3.199 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001168996065 1384081670 /nfs/dbraw/zinc/08/16/70/1384081670.db2.gz URHYPPKLWAANQA-WMZOPIPTSA-N 2 0 349.450 3.073 20 5 EGBDRP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@H]2C1 ZINC001172913273 1384877010 /nfs/dbraw/zinc/87/70/10/1384877010.db2.gz QKSWKCNEMSPSIE-QRVBRYPASA-N 2 0 343.471 3.116 20 5 EGBDRP Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000292986971 308087310 /nfs/dbraw/zinc/08/73/10/308087310.db2.gz GEGCELIMVPIRPV-HNNXBMFYSA-N 2 0 340.427 3.374 20 5 EGBDRP [NH3+]CCCC[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414915704 309109066 /nfs/dbraw/zinc/10/90/66/309109066.db2.gz ZMUNSTWZXWQCEX-UHFFFAOYSA-N 2 0 333.363 3.355 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014087 309114444 /nfs/dbraw/zinc/11/44/44/309114444.db2.gz WIMHMKWBYAWCTB-QXCFHYIPSA-N 2 0 343.471 3.284 20 5 EGBDRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423084488 309385250 /nfs/dbraw/zinc/38/52/50/309385250.db2.gz IBJPAMQGCMOLPJ-YGRLFVJLSA-N 2 0 331.338 3.091 20 5 EGBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449101613 310037198 /nfs/dbraw/zinc/03/71/98/310037198.db2.gz FYYISUNYANEUIZ-ZACQAIPSSA-N 2 0 349.475 3.005 20 5 EGBDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283856888 455603509 /nfs/dbraw/zinc/60/35/09/455603509.db2.gz BKQWLAVUGWVRCN-AWEZNQCLSA-N 2 0 342.443 3.480 20 5 EGBDRP C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736359 455609920 /nfs/dbraw/zinc/60/99/20/455609920.db2.gz IOKGLUOUZZYFFJ-HOTGVXAUSA-N 2 0 347.459 3.216 20 5 EGBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000340476523 456482585 /nfs/dbraw/zinc/48/25/85/456482585.db2.gz RGCCJLRQDGNEEC-IRXDYDNUSA-N 2 0 349.479 3.131 20 5 EGBDRP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435391917 458136139 /nfs/dbraw/zinc/13/61/39/458136139.db2.gz UTSLZKOTOHOLJO-CYBMUJFWSA-N 2 0 331.441 3.365 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000423552483 458457330 /nfs/dbraw/zinc/45/73/30/458457330.db2.gz VBPQGXNDBOKWAP-QCEMKRCNSA-N 2 0 333.432 3.032 20 5 EGBDRP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C(F)(F)F)c1 ZINC000592470706 459608928 /nfs/dbraw/zinc/60/89/28/459608928.db2.gz DVSXKZFBDAPEMN-SGMGOOAPSA-N 2 0 343.349 3.091 20 5 EGBDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000602021183 460993612 /nfs/dbraw/zinc/99/36/12/460993612.db2.gz OGJAHNWBPCHIAP-UOVPBQLFSA-N 2 0 331.460 3.413 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000873264063 1297395884 /nfs/dbraw/zinc/39/58/84/1297395884.db2.gz NIGNJEVCCYTZIG-LUYZLQTOSA-N 2 0 333.432 3.175 20 5 EGBDRP CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH+](C)CC1 ZINC000811513899 1318193141 /nfs/dbraw/zinc/19/31/41/1318193141.db2.gz VBBIOVOXTRIUFV-UHFFFAOYSA-N 2 0 343.880 3.165 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843126570 1321474508 /nfs/dbraw/zinc/47/45/08/1321474508.db2.gz KMXYZKSPUIXBKL-ZIAGYGMSSA-N 2 0 337.851 3.460 20 5 EGBDRP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925491765 1325175412 /nfs/dbraw/zinc/17/54/12/1325175412.db2.gz RJMSIXVMEGOZBO-QGZVFWFLSA-N 2 0 329.400 3.173 20 5 EGBDRP Cc1c(C)n(-c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c2ccc(C[NH3+])cc12 ZINC001163761483 1383119039 /nfs/dbraw/zinc/11/90/39/1383119039.db2.gz PFSFAWAKJKCUKA-UHFFFAOYSA-N 2 0 336.395 3.217 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)C1 ZINC001169039157 1384098558 /nfs/dbraw/zinc/09/85/58/1384098558.db2.gz NTKQIZNDBYHOGU-RBUKOAKNSA-N 2 0 343.471 3.030 20 5 EGBDRP C[C@H]([NH3+])c1ncc(-c2ccccc2)n1-c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001170683358 1384365336 /nfs/dbraw/zinc/36/53/36/1384365336.db2.gz ZKZNIHBFIGVTQF-LBPRGKRZSA-N 2 0 349.394 3.070 20 5 EGBDRP C[NH+]1CCC(CC[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172895540 1384873471 /nfs/dbraw/zinc/87/34/71/1384873471.db2.gz FFBZHGINWJQFOP-SFHVURJKSA-N 2 0 331.460 3.164 20 5 EGBDRP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901606 1384874088 /nfs/dbraw/zinc/87/40/88/1384874088.db2.gz OUFZTQXGQHVIQN-GOSISDBHSA-N 2 0 331.460 3.164 20 5 EGBDRP Cc1c([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000178037451 232065779 /nfs/dbraw/zinc/06/57/79/232065779.db2.gz YLUZKVIDHRSCHL-INMHGKMJSA-N 2 0 349.475 3.443 20 5 EGBDRP CSC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000353217110 165677779 /nfs/dbraw/zinc/67/77/79/165677779.db2.gz YMTKBCZLAUFWAC-FNORWQNLSA-N 2 0 335.473 3.025 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195404 309066165 /nfs/dbraw/zinc/06/61/65/309066165.db2.gz UUSOJPOZHOJYRC-HUUCEWRRSA-N 2 0 335.448 3.376 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414843528 309105002 /nfs/dbraw/zinc/10/50/02/309105002.db2.gz QCWHAXGXLKDZNC-RYRKJORJSA-N 2 0 331.460 3.285 20 5 EGBDRP CC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414899166 309108282 /nfs/dbraw/zinc/10/82/82/309108282.db2.gz HAFKXSGVJFDCIK-WBVHZDCISA-N 2 0 331.460 3.285 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)o2)c1 ZINC000414969114 309112272 /nfs/dbraw/zinc/11/22/72/309112272.db2.gz ITOHXMBQUDCQCU-OAHLLOKOSA-N 2 0 329.400 3.477 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@@H](C)CCCC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415021941 309114849 /nfs/dbraw/zinc/11/48/49/309114849.db2.gz YZTRBJHZOJOMHF-ZDUSSCGKSA-N 2 0 347.415 3.471 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322016 309282120 /nfs/dbraw/zinc/28/21/20/309282120.db2.gz DQPXWMJWFUEHGR-HZPDHXFCSA-N 2 0 347.459 3.204 20 5 EGBDRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000420403517 309286784 /nfs/dbraw/zinc/28/67/84/309286784.db2.gz LAMZUWNWJBASNI-YOEHRIQHSA-N 2 0 343.427 3.305 20 5 EGBDRP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422916276 309375936 /nfs/dbraw/zinc/37/59/36/309375936.db2.gz DEPFLFCCRCYRQE-QRVBRYPASA-N 2 0 331.460 3.428 20 5 EGBDRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043558 309382606 /nfs/dbraw/zinc/38/26/06/309382606.db2.gz PAGYLDNMSFYCDY-DYVFJYSZSA-N 2 0 347.846 3.339 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423349476 309396684 /nfs/dbraw/zinc/39/66/84/309396684.db2.gz VRQMOGMOHKNZLR-YOEHRIQHSA-N 2 0 337.489 3.445 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000579719036 325150939 /nfs/dbraw/zinc/15/09/39/325150939.db2.gz RGVOJRUPEQIOPY-LSDHHAIUSA-N 2 0 343.452 3.365 20 5 EGBDRP O=[N+]([O-])c1ccc(OCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000089580885 454163477 /nfs/dbraw/zinc/16/34/77/454163477.db2.gz NOTMGICGGHUKDE-UHFFFAOYSA-N 2 0 347.459 3.360 20 5 EGBDRP CCC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000128432018 455055693 /nfs/dbraw/zinc/05/56/93/455055693.db2.gz CVPCDHJZAWUAPQ-LJQANCHMSA-N 2 0 348.491 3.053 20 5 EGBDRP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000245418526 455293270 /nfs/dbraw/zinc/29/32/70/455293270.db2.gz AVSXQXSQTZTOES-MDZRGWNJSA-N 2 0 349.475 3.382 20 5 EGBDRP Cc1ccc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247052080 455551746 /nfs/dbraw/zinc/55/17/46/455551746.db2.gz OYSIRHURNKFESV-ULQDDVLXSA-N 2 0 349.475 3.443 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271849952 455786095 /nfs/dbraw/zinc/78/60/95/455786095.db2.gz IKUNTOQRWVEKBR-HNNXBMFYSA-N 2 0 335.473 3.317 20 5 EGBDRP C[NH+](C)CC1CC[NH+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000340660224 456607398 /nfs/dbraw/zinc/60/73/98/456607398.db2.gz HUDCJLNMNOGPML-UHFFFAOYSA-N 2 0 344.415 3.023 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000373113180 458400403 /nfs/dbraw/zinc/40/04/03/458400403.db2.gz SGKMQKLTVWTGEY-CQSZACIVSA-N 2 0 344.415 3.107 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283167 458603473 /nfs/dbraw/zinc/60/34/73/458603473.db2.gz AXDFBHKBYKHXFI-OAHLLOKOSA-N 2 0 347.459 3.346 20 5 EGBDRP C[C@@H]1CCCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613967 459207569 /nfs/dbraw/zinc/20/75/69/459207569.db2.gz NMLFJYXBWOBZDM-QAPCUYQASA-N 2 0 331.460 3.237 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000534328439 459315681 /nfs/dbraw/zinc/31/56/81/459315681.db2.gz IRZURNGJVHOWGA-CABCVRRESA-N 2 0 337.489 3.397 20 5 EGBDRP CCC[NH+]1CCC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000591260860 459343922 /nfs/dbraw/zinc/34/39/22/459343922.db2.gz ICSYDCVTXFRSPE-UHFFFAOYSA-N 2 0 325.840 3.255 20 5 EGBDRP CC[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@@H]1[NH3+] ZINC000592427668 459598405 /nfs/dbraw/zinc/59/84/05/459598405.db2.gz PASSTOGJLPUYQP-DYVFJYSZSA-N 2 0 329.400 3.414 20 5 EGBDRP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C(F)(F)F)c1 ZINC000592470707 459608550 /nfs/dbraw/zinc/60/85/50/459608550.db2.gz DVSXKZFBDAPEMN-YRGRVCCFSA-N 2 0 343.349 3.091 20 5 EGBDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000903794412 1317737027 /nfs/dbraw/zinc/73/70/27/1317737027.db2.gz UDTCZDSZHQNBAM-UHFFFAOYSA-N 2 0 325.412 3.087 20 5 EGBDRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000809756538 1317891573 /nfs/dbraw/zinc/89/15/73/1317891573.db2.gz SDNPXOPXJTYDOL-CQSZACIVSA-N 2 0 337.851 3.412 20 5 EGBDRP CN(Cc1c2ccccc2cc2ccccc21)C(=O)[C@H]([NH3+])CCC[NH3+] ZINC001160735739 1382181804 /nfs/dbraw/zinc/18/18/04/1382181804.db2.gz YFRYRAMIXTWTQC-HXUWFJFHSA-N 2 0 335.451 3.018 20 5 EGBDRP CC[NH+](CC)CCNC(=[NH2+])Nc1ccc2ccc3cccnc3c2n1 ZINC001163123244 1382970464 /nfs/dbraw/zinc/97/04/64/1382970464.db2.gz ZVOQMSSFFODIHP-UHFFFAOYSA-N 2 0 336.443 3.061 20 5 EGBDRP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168992508 1384081295 /nfs/dbraw/zinc/08/12/95/1384081295.db2.gz KFMMRFUKGKBFQK-CZUORRHYSA-N 2 0 337.851 3.035 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001169018930 1384091823 /nfs/dbraw/zinc/09/18/23/1384091823.db2.gz DQHRLVKTTZTHPR-SJLPKXTDSA-N 2 0 347.459 3.013 20 5 EGBDRP CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169030344 1384094283 /nfs/dbraw/zinc/09/42/83/1384094283.db2.gz YXZDQJHTPKXTLT-ICSRJNTNSA-N 2 0 345.487 3.418 20 5 EGBDRP CC[NH+](CC)CCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298032 1384285017 /nfs/dbraw/zinc/28/50/17/1384285017.db2.gz YONPADWGPSLIAZ-HNNXBMFYSA-N 2 0 337.464 3.246 20 5 EGBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170899103 1384408045 /nfs/dbraw/zinc/40/80/45/1384408045.db2.gz RWRJLJIVVXMJSE-KRWDZBQOSA-N 2 0 331.423 3.372 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC([NH+]3CCCC3)CC1)CC2 ZINC001172909998 1384876322 /nfs/dbraw/zinc/87/63/22/1384876322.db2.gz WHPGNARGRZWQST-SFHVURJKSA-N 2 0 343.471 3.402 20 5 EGBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001173231862 1384941682 /nfs/dbraw/zinc/94/16/82/1384941682.db2.gz ODRWEWWBLPSOSC-MRXNPFEDSA-N 2 0 331.460 3.334 20 5 EGBDRP Cc1cccc(NC[C@@H]2CCC[N@@H+]2Cc2cccc([N+](=O)[O-])c2)n1 ZINC001340938626 1390408854 /nfs/dbraw/zinc/40/88/54/1390408854.db2.gz AINBVRGTCLHVHT-KRWDZBQOSA-N 2 0 326.400 3.375 20 5 EGBDRP Cc1cc(N2CC[NH+](C3CCC3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340807164 274706518 /nfs/dbraw/zinc/70/65/18/274706518.db2.gz WNMDMBAQQLBFDB-UHFFFAOYSA-N 2 0 326.400 3.126 20 5 EGBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414172158 309064555 /nfs/dbraw/zinc/06/45/55/309064555.db2.gz FBMYVLHMTSTYBA-CRAIPNDOSA-N 2 0 331.460 3.237 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414999394 309113561 /nfs/dbraw/zinc/11/35/61/309113561.db2.gz RYGCERRWDLZMTC-CSMIXCHYSA-N 2 0 343.471 3.412 20 5 EGBDRP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000423433856 309400252 /nfs/dbraw/zinc/40/02/52/309400252.db2.gz XGPFXTKIPOJOFK-MPGHIAIKSA-N 2 0 331.460 3.271 20 5 EGBDRP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134932043 454610613 /nfs/dbraw/zinc/61/06/13/454610613.db2.gz ORESVFSAKUYRPP-VQIMIIECSA-N 2 0 329.444 3.086 20 5 EGBDRP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000266820890 455457770 /nfs/dbraw/zinc/45/77/70/455457770.db2.gz YZYKTRCQRRAJHJ-RYRKJORJSA-N 2 0 349.475 3.382 20 5 EGBDRP CCC[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000186583194 455799079 /nfs/dbraw/zinc/79/90/79/455799079.db2.gz PZQPQPHOOPONRN-QFBILLFUSA-N 2 0 348.491 3.052 20 5 EGBDRP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000354044471 457030221 /nfs/dbraw/zinc/03/02/21/457030221.db2.gz IVDXSKZIPMKECJ-UHFFFAOYSA-N 2 0 349.475 3.226 20 5 EGBDRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447580193 458315576 /nfs/dbraw/zinc/31/55/76/458315576.db2.gz NNHLEIHVQYSXIH-CVEARBPZSA-N 2 0 349.479 3.128 20 5 EGBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000468653411 458528999 /nfs/dbraw/zinc/52/89/99/458528999.db2.gz OVFLZRQMZIEQAX-RVDMUPIBSA-N 2 0 329.444 3.462 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595000944 459211598 /nfs/dbraw/zinc/21/15/98/459211598.db2.gz NNWWKEYYPZUOKE-HYXAFXHYSA-N 2 0 329.444 3.320 20 5 EGBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595105889 459247273 /nfs/dbraw/zinc/24/72/73/459247273.db2.gz ZVVXYHXTOZWMRU-SFHVURJKSA-N 2 0 329.444 3.294 20 5 EGBDRP Cc1cc(N2CCC3(CC[NH2+]C3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000591440624 459380697 /nfs/dbraw/zinc/38/06/97/459380697.db2.gz FERYJQRDQBMVJF-UHFFFAOYSA-N 2 0 326.400 3.031 20 5 EGBDRP CC(C)[N@H+](C)CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609133560 459907623 /nfs/dbraw/zinc/90/76/23/459907623.db2.gz VIYISGIIWVXLSS-UHFFFAOYSA-N 2 0 349.475 3.416 20 5 EGBDRP CCC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154280909 528218614 /nfs/dbraw/zinc/21/86/14/528218614.db2.gz OBDRYNDYGYYJIH-IBGZPJMESA-N 2 0 348.491 3.053 20 5 EGBDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000903975134 1317759454 /nfs/dbraw/zinc/75/94/54/1317759454.db2.gz YAUHODFCHJJESY-ZIAGYGMSSA-N 2 0 329.400 3.190 20 5 EGBDRP C[N@@H+](Cc1c2ccccc2c(Cl)c2ccccc21)C[C@H](O)C[NH3+] ZINC000841091855 1321217246 /nfs/dbraw/zinc/21/72/46/1321217246.db2.gz HTXNSVAGKAPSTF-CYBMUJFWSA-N 2 0 328.843 3.398 20 5 EGBDRP [NH3+]CCCCCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000842473509 1321392855 /nfs/dbraw/zinc/39/28/55/1321392855.db2.gz WVPGPEQBSHOOHX-UHFFFAOYSA-N 2 0 335.448 3.347 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000849350006 1322117213 /nfs/dbraw/zinc/11/72/13/1322117213.db2.gz ICYXSFYTMAAIHE-HNNXBMFYSA-N 2 0 337.851 3.460 20 5 EGBDRP [NH3+]CCC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000925596688 1325226800 /nfs/dbraw/zinc/22/68/00/1325226800.db2.gz LEYLNMNCPWUXDO-SFHVURJKSA-N 2 0 329.400 3.043 20 5 EGBDRP CC[NH+]1CCC(CC2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169046362 1384100338 /nfs/dbraw/zinc/10/03/38/1384100338.db2.gz LFGMAHLWLBBDEI-MOPGFXCFSA-N 2 0 337.508 3.266 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]C2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170317312 1384289022 /nfs/dbraw/zinc/28/90/22/1384289022.db2.gz FLQHMJWEXCWFSA-HLIUYOAVSA-N 2 0 335.448 3.032 20 5 EGBDRP COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H](CCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC001170326142 1384291574 /nfs/dbraw/zinc/29/15/74/1384291574.db2.gz FKCKVXYARBCGTP-HOTGVXAUSA-N 2 0 349.475 3.375 20 5 EGBDRP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001319383656 1386094014 /nfs/dbraw/zinc/09/40/14/1386094014.db2.gz OTYVDCXDECWAGV-MAUKXSAKSA-N 2 0 331.460 3.237 20 5 EGBDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001319383657 1386094501 /nfs/dbraw/zinc/09/45/01/1386094501.db2.gz OTYVDCXDECWAGV-QAPCUYQASA-N 2 0 331.460 3.237 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]12 ZINC000346852150 156165176 /nfs/dbraw/zinc/16/51/76/156165176.db2.gz WKFMKWYTOXHFMW-KBRIMQKVSA-N 2 0 327.384 3.024 20 5 EGBDRP C[NH+]1CCC(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000113336316 162208648 /nfs/dbraw/zinc/20/86/48/162208648.db2.gz XZOYLSMBLUEAHM-UHFFFAOYSA-N 2 0 346.456 3.150 20 5 EGBDRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122381006 222076723 /nfs/dbraw/zinc/07/67/23/222076723.db2.gz FFVVCFADVJCBCC-HNNXBMFYSA-N 2 0 343.427 3.386 20 5 EGBDRP C[NH+](C)CCCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123278915 307537496 /nfs/dbraw/zinc/53/74/96/307537496.db2.gz MQTCPJPXOIEKPY-UHFFFAOYSA-N 2 0 335.448 3.027 20 5 EGBDRP CC[NH+](CC)CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000488266061 311058623 /nfs/dbraw/zinc/05/86/23/311058623.db2.gz HJFQHMIWVOFRSO-UHFFFAOYSA-N 2 0 335.448 3.027 20 5 EGBDRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000490030517 311130414 /nfs/dbraw/zinc/13/04/14/311130414.db2.gz LVRNYVNYTPLMKS-SJLPKXTDSA-N 2 0 349.475 3.397 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC[NH+](C)C ZINC000504900508 312011903 /nfs/dbraw/zinc/01/19/03/312011903.db2.gz ZBSWBLULFDKUBR-KBPBESRZSA-N 2 0 325.478 3.395 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000515236040 312273014 /nfs/dbraw/zinc/27/30/14/312273014.db2.gz STQIAMNCUPQEOH-ZDUSSCGKSA-N 2 0 329.400 3.303 20 5 EGBDRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc([N+](=O)[O-])c1 ZINC000173329710 455267080 /nfs/dbraw/zinc/26/70/80/455267080.db2.gz DMBJDCPFVSCERN-OAHLLOKOSA-N 2 0 343.427 3.386 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000600678628 460566694 /nfs/dbraw/zinc/56/66/94/460566694.db2.gz NQXPYVYMTIZHNL-LESCRADOSA-N 2 0 329.444 3.180 20 5 EGBDRP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075836279 453929782 /nfs/dbraw/zinc/92/97/82/453929782.db2.gz UJPCOYLXVXKDKE-KRWDZBQOSA-N 2 0 347.459 3.172 20 5 EGBDRP C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@@H]1[NH3+] ZINC000261686171 455928000 /nfs/dbraw/zinc/92/80/00/455928000.db2.gz AQYUMHLPGATVFN-BMIGLBTASA-N 2 0 335.791 3.287 20 5 EGBDRP Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000326375077 456693665 /nfs/dbraw/zinc/69/36/65/456693665.db2.gz WJUWKBSZZOEOQR-CYBMUJFWSA-N 2 0 326.400 3.348 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1CN(CC)CCC[NH+]1CCCC1 ZINC000349387875 456960844 /nfs/dbraw/zinc/96/08/44/456960844.db2.gz XIGPQYLUEYCVAD-UHFFFAOYSA-N 2 0 335.448 3.301 20 5 EGBDRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000347151267 457258645 /nfs/dbraw/zinc/25/86/45/457258645.db2.gz ZUFRXIDQUYYWEM-UHFFFAOYSA-N 2 0 329.400 3.286 20 5 EGBDRP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)[NH+]1CCCCC1 ZINC000447607377 458322047 /nfs/dbraw/zinc/32/20/47/458322047.db2.gz RTKSIVXQITXMDO-ZACQAIPSSA-N 2 0 349.479 3.129 20 5 EGBDRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495431165 458854532 /nfs/dbraw/zinc/85/45/32/458854532.db2.gz BBEQUAKWYCWIBD-DOMZBBRYSA-N 2 0 325.840 3.111 20 5 EGBDRP CCC[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873291504 1297413044 /nfs/dbraw/zinc/41/30/44/1297413044.db2.gz WNYWBAICEHUTPO-ROUUACIJSA-N 2 0 347.459 3.184 20 5 EGBDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)CC1 ZINC000809756537 1317891783 /nfs/dbraw/zinc/89/17/83/1317891783.db2.gz SDNPXOPXJTYDOL-AWEZNQCLSA-N 2 0 337.851 3.412 20 5 EGBDRP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000044 1384084151 /nfs/dbraw/zinc/08/41/51/1384084151.db2.gz WZFNOVWRHLRSEI-BBRMVZONSA-N 2 0 337.851 3.035 20 5 EGBDRP C[N@H+](CCC[NH+]1CCCC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172910463 1384876103 /nfs/dbraw/zinc/87/61/03/1384876103.db2.gz ALODKAWPSHRODD-SFHVURJKSA-N 2 0 331.460 3.260 20 5 EGBDRP C[NH+](C)C1CCC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172910980 1384876436 /nfs/dbraw/zinc/87/64/36/1384876436.db2.gz FUZRYLYTXQSKOR-AOCRQIFASA-N 2 0 331.460 3.305 20 5 EGBDRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000122381164 222076533 /nfs/dbraw/zinc/07/65/33/222076533.db2.gz FFVVCFADVJCBCC-OAHLLOKOSA-N 2 0 343.427 3.386 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414922130 309109388 /nfs/dbraw/zinc/10/93/88/309109388.db2.gz GLSLDYVIPAKWFV-OLZOCXBDSA-N 2 0 345.399 3.223 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000417331900 309201995 /nfs/dbraw/zinc/20/19/95/309201995.db2.gz WOTFJISLTJNDKU-KUHUBIRLSA-N 2 0 329.444 3.436 20 5 EGBDRP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420322014 309282102 /nfs/dbraw/zinc/28/21/02/309282102.db2.gz DQPXWMJWFUEHGR-CVEARBPZSA-N 2 0 347.459 3.204 20 5 EGBDRP O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422916274 309375985 /nfs/dbraw/zinc/37/59/85/309375985.db2.gz DEPFLFCCRCYRQE-IPMKNSEASA-N 2 0 331.460 3.428 20 5 EGBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC000449062057 310033955 /nfs/dbraw/zinc/03/39/55/310033955.db2.gz KTDUDZXUTBKEID-OAHLLOKOSA-N 2 0 327.428 3.377 20 5 EGBDRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000075007672 454674028 /nfs/dbraw/zinc/67/40/28/454674028.db2.gz RSDRQSVHJHVATP-INIZCTEOSA-N 2 0 349.475 3.479 20 5 EGBDRP C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185723465 455606264 /nfs/dbraw/zinc/60/62/64/455606264.db2.gz UPZFKNOMHIPFLB-HZPDHXFCSA-N 2 0 347.459 3.216 20 5 EGBDRP COCCC[NH+]1CCC(N[C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192806969 455697254 /nfs/dbraw/zinc/69/72/54/455697254.db2.gz UVADNWGQHOPLPT-LJQANCHMSA-N 2 0 347.459 3.063 20 5 EGBDRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000377189943 458485780 /nfs/dbraw/zinc/48/57/80/458485780.db2.gz SDHWPBLWTOXYNT-ZDUSSCGKSA-N 2 0 334.807 3.361 20 5 EGBDRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000495431166 458854954 /nfs/dbraw/zinc/85/49/54/458854954.db2.gz BBEQUAKWYCWIBD-IUODEOHRSA-N 2 0 325.840 3.111 20 5 EGBDRP CC[N@H+]1C[C@H]2CN(Cc3ccc4ccc5cccnc5c4n3)C[C@H]2C1 ZINC001232227636 1376420238 /nfs/dbraw/zinc/42/02/38/1376420238.db2.gz JUEBHLUIGQHOTO-HDICACEKSA-N 2 0 332.451 3.167 20 5 EGBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001173215312 1384937710 /nfs/dbraw/zinc/93/77/10/1384937710.db2.gz UTEFHMVKJMFHNW-BRWVUGGUSA-N 2 0 333.476 3.483 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000175117828 144058096 /nfs/dbraw/zinc/05/80/96/144058096.db2.gz BYEQXWLWRKZGAC-UHFFFAOYSA-N 2 0 335.448 3.157 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@H]21 ZINC000346836758 156158219 /nfs/dbraw/zinc/15/82/19/156158219.db2.gz VOBVDRLQLHLROF-BMGDILEWSA-N 2 0 341.411 3.414 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969254 309112173 /nfs/dbraw/zinc/11/21/73/309112173.db2.gz SSOGZUFFNKZIOH-CGTJXYLNSA-N 2 0 331.460 3.428 20 5 EGBDRP Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1[N+](=O)[O-] ZINC000422923740 309376473 /nfs/dbraw/zinc/37/64/73/309376473.db2.gz WWAAXYUPHALIHW-STQMWFEESA-N 2 0 328.416 3.477 20 5 EGBDRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423084487 309385214 /nfs/dbraw/zinc/38/52/14/309385214.db2.gz IBJPAMQGCMOLPJ-QMTHXVAHSA-N 2 0 331.338 3.091 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091190 309385304 /nfs/dbraw/zinc/38/53/04/309385304.db2.gz WXIVTFSBTMPREG-FZMZJTMJSA-N 2 0 331.338 3.221 20 5 EGBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123182384 454611957 /nfs/dbraw/zinc/61/19/57/454611957.db2.gz ZAGXMCNPFIVVDH-UHFFFAOYSA-N 2 0 335.448 3.157 20 5 EGBDRP CC[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCC1 ZINC000151660557 455014210 /nfs/dbraw/zinc/01/42/10/455014210.db2.gz FEWOMJXJFKKKIL-MSOLQXFVSA-N 2 0 331.460 3.380 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000182660747 455563004 /nfs/dbraw/zinc/56/30/04/455563004.db2.gz KXHHSRSAXYAVAR-INIZCTEOSA-N 2 0 347.459 3.008 20 5 EGBDRP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354209183 457131955 /nfs/dbraw/zinc/13/19/55/457131955.db2.gz QKMLURYKTZASKX-DOTOQJQBSA-N 2 0 335.448 3.168 20 5 EGBDRP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347145800 457256310 /nfs/dbraw/zinc/25/63/10/457256310.db2.gz YGWDPDKCOYPJQZ-ZFWWWQNUSA-N 2 0 329.400 3.414 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C[NH+](C)C ZINC000425935395 457655458 /nfs/dbraw/zinc/65/54/58/457655458.db2.gz DCVPLZFCQJRWCW-KBPBESRZSA-N 2 0 325.478 3.253 20 5 EGBDRP C[C@H]([NH3+])C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000435368876 458120287 /nfs/dbraw/zinc/12/02/87/458120287.db2.gz CGVPHGGAQFRCHN-LBPRGKRZSA-N 2 0 346.456 3.278 20 5 EGBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000442928088 459061474 /nfs/dbraw/zinc/06/14/74/459061474.db2.gz PIHYLUJAMSITBP-AWEZNQCLSA-N 2 0 329.400 3.416 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1CC[NH2+]CC1 ZINC000593324497 459843265 /nfs/dbraw/zinc/84/32/65/459843265.db2.gz WQJIZLHJYWJXFA-OAHLLOKOSA-N 2 0 337.489 3.445 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736239 459966652 /nfs/dbraw/zinc/96/66/52/459966652.db2.gz KHQKOXUBOXQTHN-IUVQAAGXSA-N 2 0 347.459 3.183 20 5 EGBDRP C[NH+]1CCC(CC[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602544081 459990609 /nfs/dbraw/zinc/99/06/09/459990609.db2.gz IVISQRPMGMMURM-UHFFFAOYSA-N 2 0 345.365 3.435 20 5 EGBDRP C[NH+]1CCC([C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000589197684 460051506 /nfs/dbraw/zinc/05/15/06/460051506.db2.gz UANRJTBIDHEGCM-WLPBJKJWSA-N 2 0 329.444 3.272 20 5 EGBDRP CCc1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH3+])C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000873253084 1297391637 /nfs/dbraw/zinc/39/16/37/1297391637.db2.gz ZCXLTCMYZYXMRS-WRSAYESZSA-N 2 0 329.400 3.167 20 5 EGBDRP CCC[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873291505 1297412786 /nfs/dbraw/zinc/41/27/86/1297412786.db2.gz WNYWBAICEHUTPO-ZWKOTPCHSA-N 2 0 347.459 3.184 20 5 EGBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000819142917 1319647799 /nfs/dbraw/zinc/64/77/99/1319647799.db2.gz TYAOFFMGIPPXFE-FAFZWHIHSA-N 2 0 347.459 3.015 20 5 EGBDRP C[C@@H](C[NH3+])C(=O)Nc1cc2oc3cc(=[NH2+])ccc-3nc2c2ccccc12 ZINC001219372083 1373704918 /nfs/dbraw/zinc/70/49/18/1373704918.db2.gz XKUPVOYAZDYSEA-NSHDSACASA-N 2 0 346.390 3.099 20 5 EGBDRP C[C@H](C[N+](C)(C)C)Oc1ccc2[nH]cc(C3CC[NH+](C)CC3)c2c1 ZINC001228831058 1375689037 /nfs/dbraw/zinc/68/90/37/1375689037.db2.gz XQHITNFQKANDNG-OAHLLOKOSA-N 2 0 330.496 3.451 20 5 EGBDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)c1c2ccccc2cc2ccccc21 ZINC001153499301 1380085937 /nfs/dbraw/zinc/08/59/37/1380085937.db2.gz MBXHMQMYKOBZOB-UHFFFAOYSA-N 2 0 334.423 3.068 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001169018928 1384091538 /nfs/dbraw/zinc/09/15/38/1384091538.db2.gz DQHRLVKTTZTHPR-AEFFLSMTSA-N 2 0 347.459 3.013 20 5 EGBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)o1 ZINC000415012390 309114247 /nfs/dbraw/zinc/11/42/47/309114247.db2.gz SLZDCAGHDADLGV-DLBZAZTESA-N 2 0 341.411 3.333 20 5 EGBDRP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423041361 309382539 /nfs/dbraw/zinc/38/25/39/309382539.db2.gz IZAILAQOMYVUBD-XHSDSOJGSA-N 2 0 337.851 3.301 20 5 EGBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446884276 309970198 /nfs/dbraw/zinc/97/01/98/309970198.db2.gz NPEIPDCCZWHDMV-RVDMUPIBSA-N 2 0 329.444 3.462 20 5 EGBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000075675907 453916295 /nfs/dbraw/zinc/91/62/95/453916295.db2.gz PUWHLLUIRDXESJ-MRXNPFEDSA-N 2 0 347.459 3.090 20 5 EGBDRP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000154393583 454892312 /nfs/dbraw/zinc/89/23/12/454892312.db2.gz WWXOZGYJZAGHRO-LJQANCHMSA-N 2 0 348.491 3.053 20 5 EGBDRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000268844442 455715436 /nfs/dbraw/zinc/71/54/36/455715436.db2.gz BJMHNYLQBLEGOM-MOPGFXCFSA-N 2 0 349.475 3.263 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271849956 455785984 /nfs/dbraw/zinc/78/59/84/455785984.db2.gz IKUNTOQRWVEKBR-OAHLLOKOSA-N 2 0 335.473 3.317 20 5 EGBDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603609 456010565 /nfs/dbraw/zinc/01/05/65/456010565.db2.gz JJFXWXPFVPOYIG-LALPHHSUSA-N 2 0 325.840 3.109 20 5 EGBDRP CC(C)c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000353569925 456769975 /nfs/dbraw/zinc/76/99/75/456769975.db2.gz HWMYVBVJNQHIRI-UHFFFAOYSA-N 2 0 349.475 3.261 20 5 EGBDRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435373698 458125179 /nfs/dbraw/zinc/12/51/79/458125179.db2.gz OCQDKMOWLQFUAC-CHWSQXEVSA-N 2 0 331.441 3.492 20 5 EGBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000442921489 459061489 /nfs/dbraw/zinc/06/14/89/459061489.db2.gz NLYPQJITSVRHJG-ZDUSSCGKSA-N 2 0 346.456 3.279 20 5 EGBDRP C[C@H]1CCCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000480613965 459208241 /nfs/dbraw/zinc/20/82/41/459208241.db2.gz NMLFJYXBWOBZDM-MAUKXSAKSA-N 2 0 331.460 3.237 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593736236 459967128 /nfs/dbraw/zinc/96/71/28/459967128.db2.gz KHQKOXUBOXQTHN-FPXQBCRKSA-N 2 0 347.459 3.183 20 5 EGBDRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000788673898 1305993601 /nfs/dbraw/zinc/99/36/01/1305993601.db2.gz YVVKTFPLDFVWMG-CABCVRRESA-N 2 0 334.464 3.196 20 5 EGBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000819142919 1319648404 /nfs/dbraw/zinc/64/84/04/1319648404.db2.gz TYAOFFMGIPPXFE-TVPLGVNVSA-N 2 0 347.459 3.015 20 5 EGBDRP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@@H]1O ZINC001206511838 1371078079 /nfs/dbraw/zinc/07/80/79/1371078079.db2.gz DHYYJZLDRAQLMH-ICSRJNTNSA-N 2 0 330.431 3.335 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168958043 1384071107 /nfs/dbraw/zinc/07/11/07/1384071107.db2.gz LEKWRGBMRILNCJ-WOJBJXKFSA-N 2 0 345.487 3.324 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001168982909 1384078795 /nfs/dbraw/zinc/07/87/95/1384078795.db2.gz JEWSWXIUMXEFRN-IVDHNXQLSA-N 2 0 343.471 3.217 20 5 EGBDRP [NH3+]C1(c2cccc(Cl)c2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168992506 1384081168 /nfs/dbraw/zinc/08/11/68/1384081168.db2.gz KFMMRFUKGKBFQK-BBRMVZONSA-N 2 0 337.851 3.035 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)C1 ZINC001169018931 1384091346 /nfs/dbraw/zinc/09/13/46/1384091346.db2.gz DQHRLVKTTZTHPR-WMZOPIPTSA-N 2 0 347.459 3.013 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170307594 1384287042 /nfs/dbraw/zinc/28/70/42/1384287042.db2.gz HWVSWCMQCWLLRE-HZPDHXFCSA-N 2 0 349.475 3.389 20 5 EGBDRP CC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172901607 1384874214 /nfs/dbraw/zinc/87/42/14/1384874214.db2.gz OUFZTQXGQHVIQN-SFHVURJKSA-N 2 0 331.460 3.164 20 5 EGBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172900019 1384874357 /nfs/dbraw/zinc/87/43/57/1384874357.db2.gz RHFOSXHWUVOMFF-CRAIPNDOSA-N 2 0 331.460 3.164 20 5 EGBDRP C[NH+](C)[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172903168 1384875109 /nfs/dbraw/zinc/87/51/09/1384875109.db2.gz FUZRYLYTXQSKOR-KZNAEPCWSA-N 2 0 331.460 3.305 20 5 EGBDRP CC[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC001319383654 1386093708 /nfs/dbraw/zinc/09/37/08/1386093708.db2.gz OTYVDCXDECWAGV-CRAIPNDOSA-N 2 0 331.460 3.237 20 5 EGBDRP CC(C)([NH2+]Cc1cc2c(s1)CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC001348903277 1391281556 /nfs/dbraw/zinc/28/15/56/1391281556.db2.gz RNXUGWKUZHSXPT-UHFFFAOYSA-N 2 0 331.441 3.327 20 5 EGBDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178039642 232066649 /nfs/dbraw/zinc/06/66/49/232066649.db2.gz OCPBTNRUOPHABC-JYJNAYRXSA-N 2 0 335.448 3.135 20 5 EGBDRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000298437435 132390729 /nfs/dbraw/zinc/39/07/29/132390729.db2.gz NFRKGRYASWVMDR-AWEZNQCLSA-N 2 0 326.400 3.309 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]21 ZINC000346848811 156162666 /nfs/dbraw/zinc/16/26/66/156162666.db2.gz RLMORLSAEQEMGL-BMGDILEWSA-N 2 0 341.411 3.414 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000278431714 268011371 /nfs/dbraw/zinc/01/13/71/268011371.db2.gz JNWULDGXVYRBDJ-IBGZPJMESA-N 2 0 329.444 3.436 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)o2)cc1 ZINC000414972066 309112319 /nfs/dbraw/zinc/11/23/19/309112319.db2.gz LVGZTMLSUDYUBU-OAHLLOKOSA-N 2 0 329.400 3.477 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390698 309285881 /nfs/dbraw/zinc/28/58/81/309285881.db2.gz ZRJLXMCXZFHPPN-JVPBZIDWSA-N 2 0 347.459 3.183 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000536858806 314150524 /nfs/dbraw/zinc/15/05/24/314150524.db2.gz SIEDCJJGNUDLLX-BBWFWOEESA-N 2 0 349.475 3.443 20 5 EGBDRP C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(OCC[NH+](C)C)c1 ZINC000089512264 454157630 /nfs/dbraw/zinc/15/76/30/454157630.db2.gz RXCGXRGZKPQBEB-HNNXBMFYSA-N 2 0 343.427 3.386 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000182660730 455562550 /nfs/dbraw/zinc/56/25/50/455562550.db2.gz KXHHSRSAXYAVAR-MRXNPFEDSA-N 2 0 347.459 3.008 20 5 EGBDRP C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185736318 455610309 /nfs/dbraw/zinc/61/03/09/455610309.db2.gz IOKGLUOUZZYFFJ-JKSUJKDBSA-N 2 0 347.459 3.216 20 5 EGBDRP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261918763 455971719 /nfs/dbraw/zinc/97/17/19/455971719.db2.gz ZCRKNBLWCQDJDB-AAYGWRJKSA-N 2 0 337.423 3.282 20 5 EGBDRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601131938 460723737 /nfs/dbraw/zinc/72/37/37/460723737.db2.gz RVXXHXFZODSMIA-GUYCJALGSA-N 2 0 326.400 3.064 20 5 EGBDRP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302106443 456289664 /nfs/dbraw/zinc/28/96/64/456289664.db2.gz XUGUDIHNBQUNBJ-KBXCAEBGSA-N 2 0 340.427 3.372 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591281862 459347216 /nfs/dbraw/zinc/34/72/16/459347216.db2.gz PYAUHVKRYBDISL-LESCRADOSA-N 2 0 329.444 3.038 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000593322531 459841115 /nfs/dbraw/zinc/84/11/15/459841115.db2.gz OIRSFMJPTQDQPL-AEFFLSMTSA-N 2 0 331.460 3.285 20 5 EGBDRP C[NH+]1CCC([C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000589197683 460050518 /nfs/dbraw/zinc/05/05/18/460050518.db2.gz UANRJTBIDHEGCM-SUZKBHRPSA-N 2 0 329.444 3.272 20 5 EGBDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000602021181 460993536 /nfs/dbraw/zinc/99/35/36/460993536.db2.gz OGJAHNWBPCHIAP-JOCBIADPSA-N 2 0 331.460 3.413 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)o2)c1 ZINC000262134598 1296619210 /nfs/dbraw/zinc/61/92/10/1296619210.db2.gz YOIWBBGXAGHGJF-UHFFFAOYSA-N 2 0 341.411 3.430 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC001168996062 1384082116 /nfs/dbraw/zinc/08/21/16/1384082116.db2.gz URHYPPKLWAANQA-AEFFLSMTSA-N 2 0 349.450 3.073 20 5 EGBDRP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999467 1384083058 /nfs/dbraw/zinc/08/30/58/1384083058.db2.gz UFIJSEJFDRITDN-KGLIPLIRSA-N 2 0 337.851 3.035 20 5 EGBDRP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169000052 1384084106 /nfs/dbraw/zinc/08/41/06/1384084106.db2.gz WZFNOVWRHLRSEI-XJKSGUPXSA-N 2 0 337.851 3.035 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170295230 1384284657 /nfs/dbraw/zinc/28/46/57/1384284657.db2.gz BJCWIGFSRJFNOI-MRXNPFEDSA-N 2 0 349.475 3.246 20 5 EGBDRP [NH3+]CCC[C@H]([NH3+])Nc1cnc2c3ccccc3c3ccccc3c2n1 ZINC001170899104 1384408135 /nfs/dbraw/zinc/40/81/35/1384408135.db2.gz RWRJLJIVVXMJSE-QGZVFWFLSA-N 2 0 331.423 3.372 20 5 EGBDRP Cc1c[nH+]ccc1N1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238567 1384943052 /nfs/dbraw/zinc/94/30/52/1384943052.db2.gz VPRICYFLEMNAGC-INIZCTEOSA-N 2 0 340.427 3.051 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000414195405 309066201 /nfs/dbraw/zinc/06/62/01/309066201.db2.gz UUSOJPOZHOJYRC-LSDHHAIUSA-N 2 0 335.448 3.376 20 5 EGBDRP CC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414899161 309108242 /nfs/dbraw/zinc/10/82/42/309108242.db2.gz HAFKXSGVJFDCIK-NVXWUHKLSA-N 2 0 331.460 3.285 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414969255 309112239 /nfs/dbraw/zinc/11/22/39/309112239.db2.gz SSOGZUFFNKZIOH-JQHSSLGASA-N 2 0 331.460 3.428 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000415008291 309114074 /nfs/dbraw/zinc/11/40/74/309114074.db2.gz SFZTVOHYOMIRBW-CWLKWCNXSA-N 2 0 331.460 3.413 20 5 EGBDRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423275636 309393663 /nfs/dbraw/zinc/39/36/63/309393663.db2.gz MARUHEHAPUTAHW-UBDQQSCGSA-N 2 0 331.460 3.413 20 5 EGBDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272603611 456009602 /nfs/dbraw/zinc/00/96/02/456009602.db2.gz JJFXWXPFVPOYIG-XUJVJEKNSA-N 2 0 325.840 3.109 20 5 EGBDRP CCC[N@H+](C)C[C@H]1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081516797 453880976 /nfs/dbraw/zinc/88/09/76/453880976.db2.gz WMARIJRCZPWVLM-MRXNPFEDSA-N 2 0 335.448 3.027 20 5 EGBDRP CCC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000150978223 454920759 /nfs/dbraw/zinc/92/07/59/454920759.db2.gz KEFXYBMIRJJALT-LJQANCHMSA-N 2 0 348.491 3.052 20 5 EGBDRP CC[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N1CCCC1 ZINC000151660609 455014054 /nfs/dbraw/zinc/01/40/54/455014054.db2.gz FEWOMJXJFKKKIL-ZWKOTPCHSA-N 2 0 331.460 3.380 20 5 EGBDRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247250446 455579046 /nfs/dbraw/zinc/57/90/46/455579046.db2.gz ZPWMWVNURYKUQA-MAUKXSAKSA-N 2 0 331.460 3.237 20 5 EGBDRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000354088024 457053444 /nfs/dbraw/zinc/05/34/44/457053444.db2.gz JOORFOWWPPZQPC-YPLUBFQTSA-N 2 0 347.459 3.041 20 5 EGBDRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000347114516 457236504 /nfs/dbraw/zinc/23/65/04/457236504.db2.gz TYCXJWSWNOSWNP-CYBMUJFWSA-N 2 0 329.400 3.414 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@@H]([C@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435368638 458120125 /nfs/dbraw/zinc/12/01/25/458120125.db2.gz BXWKQNSRQJZGHH-QWHCGFSZSA-N 2 0 345.399 3.033 20 5 EGBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000442921364 459061647 /nfs/dbraw/zinc/06/16/47/459061647.db2.gz MUIKZGNEOGKACZ-AWEZNQCLSA-N 2 0 329.400 3.416 20 5 EGBDRP C[N@@H+]1CCCC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599070095 460150191 /nfs/dbraw/zinc/15/01/91/460150191.db2.gz KUODJMAQTKOPFQ-CRAIPNDOSA-N 2 0 331.460 3.237 20 5 EGBDRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610448144 460154427 /nfs/dbraw/zinc/15/44/27/460154427.db2.gz BLJNWIGOGWSJSD-QGZVFWFLSA-N 2 0 347.459 3.027 20 5 EGBDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000904406745 1317843171 /nfs/dbraw/zinc/84/31/71/1317843171.db2.gz ZHQCOADKOXTHJN-CYBMUJFWSA-N 2 0 331.441 3.494 20 5 EGBDRP O=[N+]([O-])c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1Cl ZINC000849350008 1322116693 /nfs/dbraw/zinc/11/66/93/1322116693.db2.gz ICYXSFYTMAAIHE-OAHLLOKOSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168958040 1384070895 /nfs/dbraw/zinc/07/08/95/1384070895.db2.gz LEKWRGBMRILNCJ-PMACEKPBSA-N 2 0 345.487 3.324 20 5 EGBDRP CCC[N@H+](CCC[NH+](C)C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170353807 1384299499 /nfs/dbraw/zinc/29/94/99/1384299499.db2.gz FIPWDGPVXGVRKA-HNNXBMFYSA-N 2 0 337.464 3.198 20 5 EGBDRP [NH3+]Cc1ccccc1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902585 1384875192 /nfs/dbraw/zinc/87/51/92/1384875192.db2.gz KVCANOLJUWGRRV-GOSISDBHSA-N 2 0 325.412 3.091 20 5 EGBDRP [NH3+][C@H]1CCC[C@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415012816 309114211 /nfs/dbraw/zinc/11/42/11/309114211.db2.gz XOCCGBBILHKGAI-JSGCOSHPSA-N 2 0 346.456 3.325 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415014090 309114439 /nfs/dbraw/zinc/11/44/39/309114439.db2.gz WIMHMKWBYAWCTB-XGXHKWSGSA-N 2 0 343.471 3.284 20 5 EGBDRP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000417331903 309202030 /nfs/dbraw/zinc/20/20/30/309202030.db2.gz WOTFJISLTJNDKU-LIRRHRJNSA-N 2 0 329.444 3.436 20 5 EGBDRP CCc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000582481440 325445107 /nfs/dbraw/zinc/44/51/07/325445107.db2.gz DLRLVBVDJPQVBJ-LJQANCHMSA-N 2 0 343.427 3.429 20 5 EGBDRP CCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000161592354 454705635 /nfs/dbraw/zinc/70/56/35/454705635.db2.gz JKTSSXLEHNEHEW-GOSISDBHSA-N 2 0 331.460 3.380 20 5 EGBDRP Cc1cc(N2CCC([NH2+]C(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181501046 455345792 /nfs/dbraw/zinc/34/57/92/455345792.db2.gz GCSOJQFFHRHIJO-UHFFFAOYSA-N 2 0 328.416 3.418 20 5 EGBDRP Cc1cc(N2CC[C@H]([NH+]3CCCC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302208005 456318295 /nfs/dbraw/zinc/31/82/95/456318295.db2.gz XOUFGLUFERFEOJ-HNNXBMFYSA-N 2 0 326.400 3.126 20 5 EGBDRP Cc1cc(N2CCC[C@H]([NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277198402 456720542 /nfs/dbraw/zinc/72/05/42/456720542.db2.gz PJCUUCGJWSJXIA-AWEZNQCLSA-N 2 0 328.416 3.372 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3CCC[C@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435392106 458135206 /nfs/dbraw/zinc/13/52/06/458135206.db2.gz GAQKAFAJGYPOFV-CYBMUJFWSA-N 2 0 345.399 3.034 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423538662 458454817 /nfs/dbraw/zinc/45/48/17/458454817.db2.gz GULJLLLPRPFJID-IJCBKZNRSA-N 2 0 343.471 3.284 20 5 EGBDRP Cc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000590141920 459092103 /nfs/dbraw/zinc/09/21/03/459092103.db2.gz KHLHVEONGMXLQK-LJQANCHMSA-N 2 0 340.427 3.374 20 5 EGBDRP Cc1cc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543047074 459619627 /nfs/dbraw/zinc/61/96/27/459619627.db2.gz PADZZCZYPSJDFC-HXUWFJFHSA-N 2 0 348.406 3.472 20 5 EGBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C2 ZINC000593316844 459838804 /nfs/dbraw/zinc/83/88/04/459838804.db2.gz ZGNJSWNDWVICMT-KXBFYZLASA-N 2 0 341.411 3.416 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(CN2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000878744899 1300171825 /nfs/dbraw/zinc/17/18/25/1300171825.db2.gz ZJPOHEQEQPHGLW-UHFFFAOYSA-N 2 0 346.818 3.356 20 5 EGBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815559753 1319014620 /nfs/dbraw/zinc/01/46/20/1319014620.db2.gz PFVOASKBXZMGHK-GJZGRUSLSA-N 2 0 334.464 3.482 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000843127896 1321474456 /nfs/dbraw/zinc/47/44/56/1321474456.db2.gz UICDNCUMXDJEDY-KBPBESRZSA-N 2 0 337.851 3.460 20 5 EGBDRP C[N@H+](CCCC1CC[NH2+]CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843357688 1321505680 /nfs/dbraw/zinc/50/56/80/1321505680.db2.gz NNZYOTCMWIOFIG-UHFFFAOYSA-N 2 0 325.840 3.460 20 5 EGBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000866394376 1330106035 /nfs/dbraw/zinc/10/60/35/1330106035.db2.gz WYDRINVNYMZQKN-AWEZNQCLSA-N 2 0 349.450 3.377 20 5 EGBDRP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999466 1384082648 /nfs/dbraw/zinc/08/26/48/1384082648.db2.gz UFIJSEJFDRITDN-KBPBESRZSA-N 2 0 337.851 3.035 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329327 1384292519 /nfs/dbraw/zinc/29/25/19/1384292519.db2.gz OMYPATNMJDHEOF-VKJFTORMSA-N 2 0 349.475 3.243 20 5 EGBDRP CC(C)c1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000344641889 144204060 /nfs/dbraw/zinc/20/40/60/144204060.db2.gz PNFHCEOJJXEOCH-UHFFFAOYSA-N 2 0 349.475 3.043 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)o2)cc1 ZINC000261918904 153750367 /nfs/dbraw/zinc/75/03/67/153750367.db2.gz BKQSVQMILFIBLD-UHFFFAOYSA-N 2 0 341.411 3.430 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000366049383 168075743 /nfs/dbraw/zinc/07/57/43/168075743.db2.gz LXKIUMKBNMMGFP-OAHLLOKOSA-N 2 0 333.775 3.297 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000414772991 309100019 /nfs/dbraw/zinc/10/00/19/309100019.db2.gz WBFGVCJVRTWXHR-IYBDPMFKSA-N 2 0 341.411 3.286 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414843530 309105026 /nfs/dbraw/zinc/10/50/26/309105026.db2.gz QCWHAXGXLKDZNC-XYJFISCASA-N 2 0 331.460 3.285 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cs2)c1 ZINC000414846700 309105242 /nfs/dbraw/zinc/10/52/42/309105242.db2.gz UXPGJIUTYPFFAP-ZDUSSCGKSA-N 2 0 346.456 3.198 20 5 EGBDRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000423043557 309382686 /nfs/dbraw/zinc/38/26/86/309382686.db2.gz PAGYLDNMSFYCDY-CXAGYDPISA-N 2 0 347.846 3.339 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423432852 309400226 /nfs/dbraw/zinc/40/02/26/309400226.db2.gz JMBAOVJRXPSOIM-UHOFOFEASA-N 2 0 333.432 3.032 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCC1=CC[NH2+]CC1 ZINC000423534529 309405516 /nfs/dbraw/zinc/40/55/16/309405516.db2.gz ABDSOYALLBBIIB-HNNXBMFYSA-N 2 0 335.473 3.365 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](C)CC1 ZINC000504894463 312012167 /nfs/dbraw/zinc/01/21/67/312012167.db2.gz MEGKBBYXBBDNQA-OAHLLOKOSA-N 2 0 337.489 3.397 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000600678630 460566610 /nfs/dbraw/zinc/56/66/10/460566610.db2.gz NQXPYVYMTIZHNL-YXJHDRRASA-N 2 0 329.444 3.180 20 5 EGBDRP O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075836278 453929886 /nfs/dbraw/zinc/92/98/86/453929886.db2.gz UJPCOYLXVXKDKE-QGZVFWFLSA-N 2 0 347.459 3.172 20 5 EGBDRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000151098842 454937360 /nfs/dbraw/zinc/93/73/60/454937360.db2.gz ZPWMWVNURYKUQA-YJBOKZPZSA-N 2 0 331.460 3.237 20 5 EGBDRP Cc1c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cccc1[N+](=O)[O-] ZINC000261603753 455911121 /nfs/dbraw/zinc/91/11/21/455911121.db2.gz AVQKDFBBNQUEAB-MSOLQXFVSA-N 2 0 325.412 3.078 20 5 EGBDRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000347047974 457201925 /nfs/dbraw/zinc/20/19/25/457201925.db2.gz PGBHDIWFCUGIOD-ZDUSSCGKSA-N 2 0 329.400 3.414 20 5 EGBDRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435373700 458123938 /nfs/dbraw/zinc/12/39/38/458123938.db2.gz OCQDKMOWLQFUAC-QWHCGFSZSA-N 2 0 331.441 3.492 20 5 EGBDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447506511 458301790 /nfs/dbraw/zinc/30/17/90/458301790.db2.gz CXYMHJRXORGIII-IXDOHACOSA-N 2 0 349.479 3.129 20 5 EGBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000592433665 459600233 /nfs/dbraw/zinc/60/02/33/459600233.db2.gz OOAILWWNNBQFCW-KBPBESRZSA-N 2 0 337.851 3.460 20 5 EGBDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602514612 459978889 /nfs/dbraw/zinc/97/88/89/459978889.db2.gz OJAFPWWWBUFSAK-CQSZACIVSA-N 2 0 346.431 3.338 20 5 EGBDRP C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC([NH3+])CC1 ZINC000157905867 1294190749 /nfs/dbraw/zinc/19/07/49/1294190749.db2.gz BLAFLNQIMQNJJS-UHFFFAOYSA-N 2 0 342.237 3.059 20 5 EGBDRP CSC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC[NH+](C)CC1 ZINC000873126650 1297283630 /nfs/dbraw/zinc/28/36/30/1297283630.db2.gz BHOZOASOFZHOAR-UHFFFAOYSA-N 2 0 337.489 3.129 20 5 EGBDRP CC1(C)C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000873261676 1297395265 /nfs/dbraw/zinc/39/52/65/1297395265.db2.gz QDMGLYTVLFYCRL-KYZVSKTDSA-N 2 0 329.444 3.437 20 5 EGBDRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776580614 1304173389 /nfs/dbraw/zinc/17/33/89/1304173389.db2.gz XFRVAFYMWSQFIT-LJQANCHMSA-N 2 0 349.475 3.072 20 5 EGBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000843127256 1321473997 /nfs/dbraw/zinc/47/39/97/1321473997.db2.gz PCPIFSKDNDETND-HUUCEWRRSA-N 2 0 337.851 3.460 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000843127899 1321474587 /nfs/dbraw/zinc/47/45/87/1321474587.db2.gz UICDNCUMXDJEDY-KGLIPLIRSA-N 2 0 337.851 3.460 20 5 EGBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000866239923 1330083564 /nfs/dbraw/zinc/08/35/64/1330083564.db2.gz WVTAJAPMLVZWMX-ZDUSSCGKSA-N 2 0 335.423 3.129 20 5 EGBDRP COc1ccc(C[C@@H](C)[NH2+]CCCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170313460 1384288511 /nfs/dbraw/zinc/28/85/11/1384288511.db2.gz NGLBKDRPYPGBPY-MRXNPFEDSA-N 2 0 349.475 3.390 20 5 EGBDRP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000178039652 232066863 /nfs/dbraw/zinc/06/68/63/232066863.db2.gz OCPBTNRUOPHABC-OAGGEKHMSA-N 2 0 335.448 3.135 20 5 EGBDRP CSC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC[NH+](C)CC1 ZINC000353665422 165852675 /nfs/dbraw/zinc/85/26/75/165852675.db2.gz YZUOYIMXKONKAW-QGZVFWFLSA-N 2 0 349.500 3.389 20 5 EGBDRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C[C@H]12 ZINC000414670816 309094748 /nfs/dbraw/zinc/09/47/48/309094748.db2.gz NAVKNEBUQHJFKF-VBNZEHGJSA-N 2 0 343.452 3.492 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)o2)c1 ZINC000414855154 309105779 /nfs/dbraw/zinc/10/57/79/309105779.db2.gz VTASXLCEOFANMO-AWEZNQCLSA-N 2 0 329.400 3.334 20 5 EGBDRP [NH3+][C@H]1CCC[C@@H](C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000415012817 309114195 /nfs/dbraw/zinc/11/41/95/309114195.db2.gz XOCCGBBILHKGAI-OCCSQVGLSA-N 2 0 346.456 3.325 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420390692 309285944 /nfs/dbraw/zinc/28/59/44/309285944.db2.gz ZRJLXMCXZFHPPN-GDIGMMSISA-N 2 0 347.459 3.183 20 5 EGBDRP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423041358 309382609 /nfs/dbraw/zinc/38/26/09/309382609.db2.gz IZAILAQOMYVUBD-ARFHVFGLSA-N 2 0 337.851 3.301 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000423388923 309398159 /nfs/dbraw/zinc/39/81/59/309398159.db2.gz NUBJICCGFUFHMD-IBGZPJMESA-N 2 0 337.423 3.309 20 5 EGBDRP Cc1c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cccc1[N+](=O)[O-] ZINC000616483654 460568938 /nfs/dbraw/zinc/56/89/38/460568938.db2.gz WAOHTBSPNGJDCU-UHFFFAOYSA-N 2 0 343.427 3.133 20 5 EGBDRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000162519903 454780970 /nfs/dbraw/zinc/78/09/70/454780970.db2.gz OAYXEAPDXLMXQG-HNNXBMFYSA-N 2 0 343.427 3.386 20 5 EGBDRP Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301802071 456217245 /nfs/dbraw/zinc/21/72/45/456217245.db2.gz ADAACCDBEGYYSY-ZDUSSCGKSA-N 2 0 341.415 3.255 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594735644 459145972 /nfs/dbraw/zinc/14/59/72/459145972.db2.gz MBPWUTSZYZGFFN-WEBJUUICSA-N 2 0 329.444 3.320 20 5 EGBDRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602587188 460012441 /nfs/dbraw/zinc/01/24/41/460012441.db2.gz PKRQDLAVHKKMKR-CYBMUJFWSA-N 2 0 334.420 3.336 20 5 EGBDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000602021182 460993737 /nfs/dbraw/zinc/99/37/37/460993737.db2.gz OGJAHNWBPCHIAP-LAQRGFTBSA-N 2 0 331.460 3.413 20 5 EGBDRP CC(C)[NH+]1CCC(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000877698568 1299490458 /nfs/dbraw/zinc/49/04/58/1299490458.db2.gz YRRGWVNXRANLQZ-UHFFFAOYSA-N 2 0 346.431 3.336 20 5 EGBDRP O=[N+]([O-])c1ncccc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000886082809 1303349717 /nfs/dbraw/zinc/34/97/17/1303349717.db2.gz AYAIMHYJTDLNHH-UHFFFAOYSA-N 2 0 332.448 3.078 20 5 EGBDRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000896512046 1309893749 /nfs/dbraw/zinc/89/37/49/1309893749.db2.gz KRJREEUPZAVUEP-CQSZACIVSA-N 2 0 326.400 3.309 20 5 EGBDRP CSC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000810171291 1317967601 /nfs/dbraw/zinc/96/76/01/1317967601.db2.gz ZPDMNQMPMMLZHR-UHFFFAOYSA-N 2 0 343.880 3.165 20 5 EGBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2-c1cc[nH+]c(N)c1 ZINC001206568089 1371095745 /nfs/dbraw/zinc/09/57/45/1371095745.db2.gz GHTGXCQVWYUXNX-UHFFFAOYSA-N 2 0 345.406 3.221 20 5 EGBDRP [NH3+]C1(c2ccccc2Cl)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168999470 1384083257 /nfs/dbraw/zinc/08/32/57/1384083257.db2.gz UFIJSEJFDRITDN-ZIAGYGMSSA-N 2 0 337.851 3.035 20 5 EGBDRP [NH3+]C1(c2ccc(Cl)cc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169000048 1384083769 /nfs/dbraw/zinc/08/37/69/1384083769.db2.gz WZFNOVWRHLRSEI-CZUORRHYSA-N 2 0 337.851 3.035 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]CCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001170305537 1384287014 /nfs/dbraw/zinc/28/70/14/1384287014.db2.gz MVIHLUNBXXJSRD-HNNXBMFYSA-N 2 0 335.448 3.000 20 5 EGBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC[NH+](C2CCC2)CC1 ZINC001173220902 1384938700 /nfs/dbraw/zinc/93/87/00/1384938700.db2.gz HXQPBRGNSTULCD-OAHLLOKOSA-N 2 0 331.460 3.380 20 5 EGBDRP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246840517 141037209 /nfs/dbraw/zinc/03/72/09/141037209.db2.gz ORESVFSAKUYRPP-QFBILLFUSA-N 2 0 329.444 3.086 20 5 EGBDRP C[NH+](C)CCCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000123639186 222308974 /nfs/dbraw/zinc/30/89/74/222308974.db2.gz RSUURXWAKDLLMA-UHFFFAOYSA-N 2 0 346.431 3.290 20 5 EGBDRP Cc1cc(N2CC[NH+](CC(C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302148685 308731031 /nfs/dbraw/zinc/73/10/31/308731031.db2.gz HGQOHTYSOWHCAI-UHFFFAOYSA-N 2 0 328.416 3.229 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000414922132 309109437 /nfs/dbraw/zinc/10/94/37/309109437.db2.gz GLSLDYVIPAKWFV-QWHCGFSZSA-N 2 0 345.399 3.223 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCC[C@H]3CCC[NH2+]3)o2)cc1 ZINC000414972065 309112309 /nfs/dbraw/zinc/11/23/09/309112309.db2.gz LVGZTMLSUDYUBU-HNNXBMFYSA-N 2 0 329.400 3.477 20 5 EGBDRP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000420403515 309286749 /nfs/dbraw/zinc/28/67/49/309286749.db2.gz LAMZUWNWJBASNI-WMLDXEAASA-N 2 0 343.427 3.305 20 5 EGBDRP C[NH+](C)C1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000421869827 309344323 /nfs/dbraw/zinc/34/43/23/309344323.db2.gz DPOLXVKDNNRCIE-DAWZGUTISA-N 2 0 331.460 3.378 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423349473 309396585 /nfs/dbraw/zinc/39/65/85/309396585.db2.gz VRQMOGMOHKNZLR-PBHICJAKSA-N 2 0 337.489 3.445 20 5 EGBDRP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000430211702 309601717 /nfs/dbraw/zinc/60/17/17/309601717.db2.gz YCGYOQPHBPBPJS-UHFFFAOYSA-N 2 0 335.448 3.157 20 5 EGBDRP O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC4(CC[NH2+]C4)CC3)o2)c1 ZINC000430899072 309620376 /nfs/dbraw/zinc/62/03/76/309620376.db2.gz GTWHHJJHHNXVLD-UHFFFAOYSA-N 2 0 341.411 3.430 20 5 EGBDRP C[NH+](C)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000182080622 455431262 /nfs/dbraw/zinc/43/12/62/455431262.db2.gz MYRGJXGZEUYFLS-UHFFFAOYSA-N 2 0 325.840 3.412 20 5 EGBDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283856891 455604037 /nfs/dbraw/zinc/60/40/37/455604037.db2.gz BKQWLAVUGWVRCN-CQSZACIVSA-N 2 0 342.443 3.480 20 5 EGBDRP C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1[NH3+] ZINC000261686181 455927415 /nfs/dbraw/zinc/92/74/15/455927415.db2.gz AQYUMHLPGATVFN-MEBBXXQBSA-N 2 0 335.791 3.287 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423538663 458455050 /nfs/dbraw/zinc/45/50/50/458455050.db2.gz GULJLLLPRPFJID-NLNMYJFZSA-N 2 0 343.471 3.284 20 5 EGBDRP COCCC[NH+]1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000468647481 458529712 /nfs/dbraw/zinc/52/97/12/458529712.db2.gz FKNXEUQTYWQEKC-DTQAZKPQSA-N 2 0 347.459 3.089 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594734542 459144869 /nfs/dbraw/zinc/14/48/69/459144869.db2.gz ASHKHFBPAYOWCY-MRXNPFEDSA-N 2 0 347.459 3.205 20 5 EGBDRP CC[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1[NH3+] ZINC000592427667 459598595 /nfs/dbraw/zinc/59/85/95/459598595.db2.gz PASSTOGJLPUYQP-CXAGYDPISA-N 2 0 329.400 3.414 20 5 EGBDRP C[NH+]1CCC(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602544550 459989997 /nfs/dbraw/zinc/98/99/97/459989997.db2.gz LHVNTCZRQIVCBZ-UHFFFAOYSA-N 2 0 331.338 3.045 20 5 EGBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788525027 1305961797 /nfs/dbraw/zinc/96/17/97/1305961797.db2.gz AVCZHKAHUDWWIB-LSDHHAIUSA-N 2 0 334.464 3.340 20 5 EGBDRP [NH3+]CCc1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cc1 ZINC000817949537 1319473611 /nfs/dbraw/zinc/47/36/11/1319473611.db2.gz QXDCFIZOUCPYGW-IBGZPJMESA-N 2 0 339.439 3.207 20 5 EGBDRP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1Cl ZINC000843127255 1321474163 /nfs/dbraw/zinc/47/41/63/1321474163.db2.gz PCPIFSKDNDETND-GJZGRUSLSA-N 2 0 337.851 3.460 20 5 EGBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866262006 1330087085 /nfs/dbraw/zinc/08/70/85/1330087085.db2.gz ZBVHAYIFKNUXIZ-CABCVRRESA-N 2 0 337.439 3.375 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001170297523 1384284918 /nfs/dbraw/zinc/28/49/18/1384284918.db2.gz OOOJMPYASQARKS-HNNXBMFYSA-N 2 0 335.448 3.000 20 5 EGBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC001170900979 1384407826 /nfs/dbraw/zinc/40/78/26/1384407826.db2.gz SKTCHJYJFUIYQJ-INIZCTEOSA-N 2 0 332.429 3.182 20 5 EGBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000349155598 156368531 /nfs/dbraw/zinc/36/85/31/156368531.db2.gz WBVXVLYRAKDHSO-SCOADAFUSA-N 2 0 326.400 3.221 20 5 EGBDRP C[C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C[NH3+] ZINC000415131424 309122765 /nfs/dbraw/zinc/12/27/65/309122765.db2.gz SFIYNDXOKAUVPS-ZFWWWQNUSA-N 2 0 329.400 3.272 20 5 EGBDRP CC[NH+](CC)CCOCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433225452 309682805 /nfs/dbraw/zinc/68/28/05/309682805.db2.gz BTKICJXWYTVSNP-SFHVURJKSA-N 2 0 349.475 3.265 20 5 EGBDRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449212951 310045065 /nfs/dbraw/zinc/04/50/65/310045065.db2.gz UMSMKTSIXNDRNB-IAGOWNOFSA-N 2 0 333.476 3.483 20 5 EGBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266779174 455452049 /nfs/dbraw/zinc/45/20/49/455452049.db2.gz XGBOBIWJPQQSOE-MRXNPFEDSA-N 2 0 347.459 3.233 20 5 EGBDRP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354209186 457131489 /nfs/dbraw/zinc/13/14/89/457131489.db2.gz QKMLURYKTZASKX-WBVHZDCISA-N 2 0 335.448 3.168 20 5 EGBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433296683 457801792 /nfs/dbraw/zinc/80/17/92/457801792.db2.gz SYSXTQDWIXSSEF-YJBOKZPZSA-N 2 0 349.475 3.264 20 5 EGBDRP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000435368874 458121037 /nfs/dbraw/zinc/12/10/37/458121037.db2.gz CGVPHGGAQFRCHN-GFCCVEGCSA-N 2 0 346.456 3.278 20 5 EGBDRP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)CC[C@@H]1[NH3+] ZINC000435373293 458125241 /nfs/dbraw/zinc/12/52/41/458125241.db2.gz DGJZOMYZBXCHMR-LRDDRELGSA-N 2 0 331.441 3.492 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC34CC[NH2+]CC4)o2)cc1 ZINC000591281846 459347243 /nfs/dbraw/zinc/34/72/43/459347243.db2.gz OUOZJEFBYIEKPW-QGZVFWFLSA-N 2 0 327.384 3.087 20 5 EGBDRP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094025 459518909 /nfs/dbraw/zinc/51/89/09/459518909.db2.gz HBPFAERNHZBHAQ-CRAIPNDOSA-N 2 0 329.444 3.294 20 5 EGBDRP CC[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1[NH3+] ZINC000592427670 459598342 /nfs/dbraw/zinc/59/83/42/459598342.db2.gz PASSTOGJLPUYQP-SUMWQHHRSA-N 2 0 329.400 3.414 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592433712 459600050 /nfs/dbraw/zinc/60/00/50/459600050.db2.gz PPLXAVZENZHAKO-PGHYUYILSA-N 2 0 329.444 3.320 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000152865218 528607430 /nfs/dbraw/zinc/60/74/30/528607430.db2.gz UGUSMMHSVRWPLY-KBPBESRZSA-N 2 0 333.432 3.128 20 5 EGBDRP CCC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873291503 1297412731 /nfs/dbraw/zinc/41/27/31/1297412731.db2.gz WNYWBAICEHUTPO-QZTJIDSGSA-N 2 0 347.459 3.184 20 5 EGBDRP O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843126569 1321474338 /nfs/dbraw/zinc/47/43/38/1321474338.db2.gz KMXYZKSPUIXBKL-UONOGXRCSA-N 2 0 337.851 3.460 20 5 EGBDRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329326 1384292819 /nfs/dbraw/zinc/29/28/19/1384292819.db2.gz OMYPATNMJDHEOF-RVKKMQEKSA-N 2 0 349.475 3.243 20 5 EGBDRP C[NH+](C)CCCC1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351723630 144297290 /nfs/dbraw/zinc/29/72/90/144297290.db2.gz ZZXZUWLMVTYYRZ-UHFFFAOYSA-N 2 0 341.402 3.427 20 5 EGBDRP COCC[N@H+](C)CCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000122046618 152387287 /nfs/dbraw/zinc/38/72/87/152387287.db2.gz WGCYJWUUASPACK-UHFFFAOYSA-N 2 0 349.475 3.165 20 5 EGBDRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C[C@@H]12 ZINC000346821584 156152079 /nfs/dbraw/zinc/15/20/79/156152079.db2.gz IUEWYBKHYQTBEX-KBRIMQKVSA-N 2 0 327.384 3.024 20 5 EGBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]21 ZINC000346822074 156153068 /nfs/dbraw/zinc/15/30/68/156153068.db2.gz FDUPIZSKTFGOKH-IAOVAPTHSA-N 2 0 341.411 3.414 20 5 EGBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCC[NH+](C)C ZINC000271024251 266590434 /nfs/dbraw/zinc/59/04/34/266590434.db2.gz AZSJXOPYDHBCQG-CQSZACIVSA-N 2 0 325.478 3.397 20 5 EGBDRP C[C@H]([NH2+]Cc1cccc(C[NH+](C)C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293567004 308142607 /nfs/dbraw/zinc/14/26/07/308142607.db2.gz DGMRWYZUDAVWSN-ZDUSSCGKSA-N 2 0 328.416 3.089 20 5 EGBDRP COc1ccc(-c2ccc(C[N@H+](C)CC(C)(C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414658837 309094201 /nfs/dbraw/zinc/09/42/01/309094201.db2.gz KCAQKAXVOIHKGT-UHFFFAOYSA-N 2 0 347.415 3.280 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000414765861 309099520 /nfs/dbraw/zinc/09/95/20/309099520.db2.gz GNYLQJMAPGOLHD-IYBDPMFKSA-N 2 0 341.411 3.286 20 5 EGBDRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414884123 309107204 /nfs/dbraw/zinc/10/72/04/309107204.db2.gz VNDRMEYVYCBOIW-CQSZACIVSA-N 2 0 328.416 3.047 20 5 EGBDRP COc1ccc(-c2ccc(CNCC[C@H]3CCC[NH2+]3)o2)c([N+](=O)[O-])c1 ZINC000414909689 309108642 /nfs/dbraw/zinc/10/86/42/309108642.db2.gz UFABJCQBDOYQOK-CYBMUJFWSA-N 2 0 345.399 3.095 20 5 EGBDRP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)o1 ZINC000414962235 309111643 /nfs/dbraw/zinc/11/16/43/309111643.db2.gz BWRKAGBEQPEABL-CQSZACIVSA-N 2 0 329.400 3.477 20 5 EGBDRP COCCC[NH+]1CCC(N[C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000192806984 455697794 /nfs/dbraw/zinc/69/77/94/455697794.db2.gz UVADNWGQHOPLPT-IBGZPJMESA-N 2 0 347.459 3.063 20 5 EGBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261618330 455915139 /nfs/dbraw/zinc/91/51/39/455915139.db2.gz CTTNDTRPYUZTPL-LESCRADOSA-N 2 0 325.412 3.330 20 5 EGBDRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435368845 458120649 /nfs/dbraw/zinc/12/06/49/458120649.db2.gz CESIZNXTLUBVFU-STQMWFEESA-N 2 0 331.441 3.492 20 5 EGBDRP COc1ccc(-c2ccc(C[N@@H+]3CC[C@H]([C@H](C)[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000435368639 458121195 /nfs/dbraw/zinc/12/11/95/458121195.db2.gz BXWKQNSRQJZGHH-STQMWFEESA-N 2 0 345.399 3.033 20 5 EGBDRP [NH3+]C[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435390240 458134469 /nfs/dbraw/zinc/13/44/69/458134469.db2.gz QQRLZWWEKJAOTB-AWEZNQCLSA-N 2 0 345.374 3.307 20 5 EGBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000442930083 459062722 /nfs/dbraw/zinc/06/27/22/459062722.db2.gz SODIHQVLFHMSEX-AWEZNQCLSA-N 2 0 329.400 3.416 20 5 EGBDRP CC[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1[NH3+] ZINC000592427555 459598117 /nfs/dbraw/zinc/59/81/17/459598117.db2.gz BTHHOUODAFAISU-SUMWQHHRSA-N 2 0 329.400 3.414 20 5 EGBDRP O=[N+]([O-])c1cccc([C@H]([NH2+]CC2CC[NH2+]CC2)c2ccccc2)c1 ZINC000574307657 459805275 /nfs/dbraw/zinc/80/52/75/459805275.db2.gz YSKFYAAOHCDRTO-LJQANCHMSA-N 2 0 325.412 3.273 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000152865399 528607409 /nfs/dbraw/zinc/60/74/09/528607409.db2.gz UGUSMMHSVRWPLY-UONOGXRCSA-N 2 0 333.432 3.128 20 5 EGBDRP CCc1ccc([C@@H]([NH2+]C[C@H]2C[C@H]([NH3+])C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000873259095 1297392378 /nfs/dbraw/zinc/39/23/78/1297392378.db2.gz ZCXLTCMYZYXMRS-YEWDVWPNSA-N 2 0 329.400 3.167 20 5 EGBDRP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000769308906 1303089428 /nfs/dbraw/zinc/08/94/28/1303089428.db2.gz BPJHSJSLFSPETH-UHFFFAOYSA-N 2 0 343.427 3.297 20 5 EGBDRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000903794377 1317737045 /nfs/dbraw/zinc/73/70/45/1317737045.db2.gz SNIXVLLGYJNYGE-UHFFFAOYSA-N 2 0 343.402 3.226 20 5 EGBDRP [NH3+]C[C@H]1C[N@H+](Cc2ccc3ccc4cccc5ccc2c3c45)C[C@H]1O ZINC001206463727 1371062450 /nfs/dbraw/zinc/06/24/50/1371062450.db2.gz DHYYJZLDRAQLMH-AZUAARDMSA-N 2 0 330.431 3.335 20 5 EGBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001168958041 1384070627 /nfs/dbraw/zinc/07/06/27/1384070627.db2.gz LEKWRGBMRILNCJ-UXHICEINSA-N 2 0 345.487 3.324 20 5 EGBDRP [NH3+][C@H]1CC[C@H]([N@H+](Cc2ccccc2F)[C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168999916 1384084184 /nfs/dbraw/zinc/08/41/84/1384084184.db2.gz WGYPZXBQZYTZDG-DKIMLUQUSA-N 2 0 349.450 3.343 20 5 EGBDRP COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H](CCC[NH3+])C2)c([N+](=O)[O-])c1 ZINC001170326141 1384291608 /nfs/dbraw/zinc/29/16/08/1384291608.db2.gz FKCKVXYARBCGTP-CVEARBPZSA-N 2 0 349.475 3.375 20 5 EGBDRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172899734 1384874199 /nfs/dbraw/zinc/87/41/99/1384874199.db2.gz PAZIEGPJSPJIII-QGZVFWFLSA-N 2 0 331.460 3.305 20 5 EGBDRP CC(C)C[NH+]1CCC(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173220896 1384938109 /nfs/dbraw/zinc/93/81/09/1384938109.db2.gz HVNLMAPTQVJNSP-MRXNPFEDSA-N 2 0 333.476 3.483 20 5 EGBDRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414799102 309102298 /nfs/dbraw/zinc/10/22/98/309102298.db2.gz JLHPMKZYOTWXNF-CJNGLKHVSA-N 2 0 329.400 3.462 20 5 EGBDRP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC[C@H]3CC[NH2+]C3)s2)cc1 ZINC000414828055 309104055 /nfs/dbraw/zinc/10/40/55/309104055.db2.gz IHLABQQMAKRNTJ-CYBMUJFWSA-N 2 0 331.441 3.413 20 5 EGBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414999395 309113404 /nfs/dbraw/zinc/11/34/04/309113404.db2.gz RYGCERRWDLZMTC-QXUXTZANSA-N 2 0 343.471 3.412 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@@H](C[NH3+])C3)o2)c([N+](=O)[O-])c1 ZINC000415027593 309115214 /nfs/dbraw/zinc/11/52/14/309115214.db2.gz BFTQRDRIZYKGLD-CHWSQXEVSA-N 2 0 345.399 3.080 20 5 EGBDRP CCc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423254207 309392515 /nfs/dbraw/zinc/39/25/15/309392515.db2.gz XPCBKCWTRUIOEJ-IFXJQAMLSA-N 2 0 343.427 3.429 20 5 EGBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC[NH+](C)CC1 ZINC000504894460 312012118 /nfs/dbraw/zinc/01/21/18/312012118.db2.gz MEGKBBYXBBDNQA-HNNXBMFYSA-N 2 0 337.489 3.397 20 5 EGBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261618327 455914839 /nfs/dbraw/zinc/91/48/39/455914839.db2.gz CTTNDTRPYUZTPL-KYJSFNMBSA-N 2 0 325.412 3.330 20 5 EGBDRP C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C[C@H]1[NH3+] ZINC000261686184 455927512 /nfs/dbraw/zinc/92/75/12/455927512.db2.gz AQYUMHLPGATVFN-ZUZCIYMTSA-N 2 0 335.791 3.287 20 5 EGBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C[C@H]21 ZINC000346822081 457178763 /nfs/dbraw/zinc/17/87/63/457178763.db2.gz FDUPIZSKTFGOKH-KBRIMQKVSA-N 2 0 341.411 3.414 20 5 EGBDRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000347113282 457235462 /nfs/dbraw/zinc/23/54/62/457235462.db2.gz ROMXFZWEWSIXBP-CYBMUJFWSA-N 2 0 329.400 3.414 20 5 EGBDRP C[NH2+]CC1CC[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000347113244 457235891 /nfs/dbraw/zinc/23/58/91/457235891.db2.gz RFUCZHXLWQIVLI-UHFFFAOYSA-N 2 0 329.400 3.286 20 5 EGBDRP COCCC[NH+]1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000468647483 458529587 /nfs/dbraw/zinc/52/95/87/458529587.db2.gz FKNXEUQTYWQEKC-SSZFMOIBSA-N 2 0 347.459 3.089 20 5 EGBDRP Cc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000590141919 459092827 /nfs/dbraw/zinc/09/28/27/459092827.db2.gz KHLHVEONGMXLQK-IBGZPJMESA-N 2 0 340.427 3.374 20 5 EGBDRP O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594735643 459146439 /nfs/dbraw/zinc/14/64/39/459146439.db2.gz MBPWUTSZYZGFFN-UKTKYZJWSA-N 2 0 329.444 3.320 20 5 EGBDRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153753160 528339318 /nfs/dbraw/zinc/33/93/18/528339318.db2.gz AUCFTNHLEZGYQB-LJQANCHMSA-N 2 0 349.475 3.072 20 5 EGBDRP CCOc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000153603899 528594574 /nfs/dbraw/zinc/59/45/74/528594574.db2.gz IBAVDHDBGSDTMG-CQSZACIVSA-N 2 0 335.448 3.376 20 5 EGBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[NH+]3CCCCC3)CC2)cc1 ZINC000764661120 1302113196 /nfs/dbraw/zinc/11/31/96/1302113196.db2.gz CAQDZRVEEZTNAZ-UHFFFAOYSA-N 2 0 346.475 3.029 20 5 EGBDRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(Cl)c3)C2)CC1 ZINC000809756944 1317892041 /nfs/dbraw/zinc/89/20/41/1317892041.db2.gz VGJPTYCTJQDUHZ-HNNXBMFYSA-N 2 0 337.851 3.412 20 5 EGBDRP C[NH+](C)Cc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000859214777 1328947851 /nfs/dbraw/zinc/94/78/51/1328947851.db2.gz SIYKQIIQSHVVPO-UHFFFAOYSA-N 2 0 343.427 3.167 20 5 EGBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001168990418 1384080420 /nfs/dbraw/zinc/08/04/20/1384080420.db2.gz CNFXEDNDJHQHEW-RBUKOAKNSA-N 2 0 337.508 3.314 20 5 EGBDRP C[N@H+](C1CC1)C1CC[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172918511 1384878383 /nfs/dbraw/zinc/87/83/83/1384878383.db2.gz BKBGPPUGHCTPSC-IBGZPJMESA-N 2 0 343.471 3.401 20 5 EGBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000278518196 268029968 /nfs/dbraw/zinc/02/99/68/268029968.db2.gz SDEAZDDJBCUEKS-LJQANCHMSA-N 2 0 343.471 3.380 20 5 EGBDRP [NH3+][C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000414999369 309113505 /nfs/dbraw/zinc/11/35/05/309113505.db2.gz RTUUNMSFDUFHRK-UKRRQHHQSA-N 2 0 329.400 3.462 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420390702 309285966 /nfs/dbraw/zinc/28/59/66/309285966.db2.gz ZRJLXMCXZFHPPN-ZOCIIQOWSA-N 2 0 347.459 3.183 20 5 EGBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420398367 309286293 /nfs/dbraw/zinc/28/62/93/309286293.db2.gz YLSRRLSMBOBBDG-URLQWDBASA-N 2 0 347.459 3.183 20 5 EGBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423399036 309398547 /nfs/dbraw/zinc/39/85/47/309398547.db2.gz UMUVCDPFZMCNOV-AWEZNQCLSA-N 2 0 325.412 3.309 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000571561708 317216904 /nfs/dbraw/zinc/21/69/04/317216904.db2.gz VDTKEACYDGNZEI-VXGBXAGGSA-N 2 0 333.388 3.079 20 5 EGBDRP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc([N+](=O)[O-])ccc21 ZINC000583988705 325567876 /nfs/dbraw/zinc/56/78/76/325567876.db2.gz UUNSOXSMDBAHTF-FLTUCWPJSA-N 2 0 329.444 3.295 20 5 EGBDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000245468229 455309777 /nfs/dbraw/zinc/30/97/77/455309777.db2.gz SUAGQLDGADRDOI-BZUAXINKSA-N 2 0 335.448 3.135 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245586272 455335754 /nfs/dbraw/zinc/33/57/54/455335754.db2.gz JWRPICUVZNOMMD-PBHICJAKSA-N 2 0 344.415 3.273 20 5 EGBDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247040723 455549813 /nfs/dbraw/zinc/54/98/13/455549813.db2.gz OCPBTNRUOPHABC-OWCLPIDISA-N 2 0 335.448 3.135 20 5 EGBDRP CCOc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000276882977 456609978 /nfs/dbraw/zinc/60/99/78/456609978.db2.gz JAGYIJQYEDYPJT-UHFFFAOYSA-N 2 0 335.448 3.157 20 5 EGBDRP CSC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH+](C)CC1 ZINC000353654015 456832525 /nfs/dbraw/zinc/83/25/25/456832525.db2.gz ZHFZDXSIIMTSRO-CQSZACIVSA-N 2 0 337.489 3.381 20 5 EGBDRP [NH3+]C[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C1 ZINC000435390242 458133327 /nfs/dbraw/zinc/13/33/27/458133327.db2.gz QQRLZWWEKJAOTB-CQSZACIVSA-N 2 0 345.374 3.307 20 5 EGBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432369823 458726705 /nfs/dbraw/zinc/72/67/05/458726705.db2.gz XIAQUSKELMGPSC-TXQCQQFXSA-N 2 0 347.459 3.089 20 5 EGBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594734541 459145271 /nfs/dbraw/zinc/14/52/71/459145271.db2.gz ASHKHFBPAYOWCY-INIZCTEOSA-N 2 0 347.459 3.205 20 5 EGBDRP O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)c2ccccc2)c1 ZINC000591581235 459406387 /nfs/dbraw/zinc/40/63/87/459406387.db2.gz OWZIZVVHGPAMLT-MOPGFXCFSA-N 2 0 337.423 3.416 20 5 EGBDRP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094028 459518464 /nfs/dbraw/zinc/51/84/64/459518464.db2.gz HBPFAERNHZBHAQ-YJBOKZPZSA-N 2 0 329.444 3.294 20 5 EGBDRP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000593314320 459838171 /nfs/dbraw/zinc/83/81/71/459838171.db2.gz CVVYXSOYFOIHCU-ZDUSSCGKSA-N 2 0 331.391 3.304 20 5 EGBDRP Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611921291 460490083 /nfs/dbraw/zinc/49/00/83/460490083.db2.gz OYELVAGVSKPNRR-CQSZACIVSA-N 2 0 328.416 3.418 20 5 EGBDRP CCOc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000817947224 1319473637 /nfs/dbraw/zinc/47/36/37/1319473637.db2.gz AMJREOAANMCHIY-AWEZNQCLSA-N 2 0 343.427 3.346 20 5 EGBDRP COc1ccc(-c2ccc(C[NH2+]C3CCC([NH3+])CC3)o2)c([N+](=O)[O-])c1 ZINC000843103703 1321470456 /nfs/dbraw/zinc/47/04/56/1321470456.db2.gz BEVVYFZAKQPTMW-UHFFFAOYSA-N 2 0 345.399 3.223 20 5 EGBDRP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000866393433 1330105993 /nfs/dbraw/zinc/10/59/93/1330105993.db2.gz OEBAPHCGUBDWBN-GOEBONIOSA-N 2 0 349.450 3.377 20 5 EGBDRP Cc1c[nH+]ccc1N1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173238568 1384943109 /nfs/dbraw/zinc/94/31/09/1384943109.db2.gz VPRICYFLEMNAGC-MRXNPFEDSA-N 2 0 340.427 3.051 20 5 EGBDRP